(E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine

C49H60N10 — CID 67323715

IUPAC(E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine
SMILESCCN(/C=C/N(Cc1ccc(C)cn1)Cc1ccc(C)cn1)Cc1ccc(C)cn1.Cc1ccc(CN(C)/C=C/N(Cc2ccc(C)cn2)Cc2ccc(C)cn2)nc1
InChIInChI=1S/C25H31N5.C24H29N5/c1-5-29(17-23-9-6-20(2)14-26-23)12-13-30(18-24-10-7-21(3)15-27-24)19-25-11-8-22(4)16-28-25;1-19-5-8-22(25-13-19)16-28(4)11-12-29(17-23-9-6-20(2)14-26-23)18-24-10-7-21(3)15-27-24/h6-16H,5,17-19H2,1-4H3;5-15H,16-18H2,1-4H3/b13-12+;12-11+
InChIKeyMHOAPBBLQFFCGD-ZJXFPNIXSA-N
MW789.09 g/mol
LogP9.19
Rot. Bonds17

About (E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine

(E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine (PubChem CID 67323715) has the molecular formula C49H60N10 and a molecular weight of 789.09 g/mol. Its IUPAC name is (E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine
PubChem CID67323715
Molecular FormulaC49H60N10
Molecular Weight789.09 g/mol
Exact Mass788.50
IUPAC Name(E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine
SMILESCCN(/C=C/N(Cc1ccc(C)cn1)Cc1ccc(C)cn1)Cc1ccc(C)cn1.Cc1ccc(CN(C)/C=C/N(Cc2ccc(C)cn2)Cc2ccc(C)cn2)nc1
InChIInChI=1S/C25H31N5.C24H29N5/c1-5-29(17-23-9-6-20(2)14-26-23)12-13-30(18-24-10-7-21(3)15-27-24)19-25-11-8-22(4)16-28-25;1-19-5-8-22(25-13-19)16-28(4)11-12-29(17-23-9-6-20(2)14-26-23)18-24-10-7-21(3)15-27-24/h6-16H,5,17-19H2,1-4H3;5-15H,16-18H2,1-4H3/b13-12+;12-11+
InChIKeyMHOAPBBLQFFCGD-ZJXFPNIXSA-N
XLogP9.19
TPSA90.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.09
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine with MolForge

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Related Compounds

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CID 58662142
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CID 169111032
2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol
CID 89397943
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862
(5-methyl-2-pyridinyl)methanolate
CID 153447855
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide
CID 166221831
(5-methyl-2-pyridinyl)methanol;hydrochloride
CID 91620369
2-(5-methyl-2-pyridinyl)ethanol
CID 14546495
(3aS,6aR)-2-N,2-N,5-N-trimethyl-5-N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine;formic acid
CID 154915543
N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide
CID 123705598
N-ethyl-N,5-dimethylpyridine-2-sulfinamide
CID 156567219
5-methyl-2-[(2S)-2-methylbutyl]pyridine
CID 118944951

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine?
The IUPAC name of (E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine (CID 67323715) is (E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine.
What is the SMILES notation for (E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine?
The canonical SMILES for (E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine is CCN(/C=C/N(Cc1ccc(C)cn1)Cc1ccc(C)cn1)Cc1ccc(C)cn1.Cc1ccc(CN(C)/C=C/N(Cc2ccc(C)cn2)Cc2ccc(C)cn2)nc1.
What is the InChIKey of (E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine?
The InChIKey is MHOAPBBLQFFCGD-ZJXFPNIXSA-N. The full InChI is InChI=1S/C25H31N5.C24H29N5/c1-5-29(17-23-9-6-20(2)14-26-23)12-13-30(18-24-10-7-21(3)15-27-24)19-25-11-8-22(4)16-28-25;1-19-5-8-22(25-13-19)16-28(4)11-12-29(17-23-9-6-20(2)14-26-23)18-24-10-7-21(3)15-27-24/h6-16H,5,17-19H2,1-4H3;5-15H,16-18H2,1-4H3/b13-12+;12-11+.
What are the key properties of (E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine?
(E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine has a molecular weight of 789.09 g/mol, XLogP of 9.19, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine is sourced from PubChem (CID 67323715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).