(E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine

C24H32N2 — CID 59562927

IUPAC(E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine
SMILESCCCN(CC#C/C=C/CN[C@H](C)c1cccc2ccccc12)CCC
InChIInChI=1S/C24H32N2/c1-4-18-26(19-5-2)20-11-7-6-10-17-25-21(3)23-16-12-14-22-13-8-9-15-24(22)23/h6,8-10,12-16,21,25H,4-5,17-20H2,1-3H3/b10-6+/t21-/m1/s1
InChIKeySUXDCSQEHWCMGT-VMLCMGRWSA-N
MW348.53 g/mol
LogP5.17
Rot. Bonds9

About (E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine

(E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine (PubChem CID 59562927) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is (E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine.

Molecular Properties

Compound Name(E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine
PubChem CID59562927
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name(E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine
SMILESCCCN(CC#C/C=C/CN[C@H](C)c1cccc2ccccc12)CCC
InChIInChI=1S/C24H32N2/c1-4-18-26(19-5-2)20-11-7-6-10-17-25-21(3)23-16-12-14-22-13-8-9-15-24(22)23/h6,8-10,12-16,21,25H,4-5,17-20H2,1-3H3/b10-6+/t21-/m1/s1
InChIKeySUXDCSQEHWCMGT-VMLCMGRWSA-N
XLogP5.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine with MolForge

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Related Compounds

7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol
CID 91065022
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine
CID 25005662
(E)-N'-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)hex-2-en-4-yne-1,6-diamine
CID 143626003
(E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine
CID 89294620
N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine
CID 91425181
(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine
CID 25006024
(E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine
CID 25006403
2-[(E)-7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-ynyl]isoindole-1,3-dione
CID 59562972
4-methyl-N-[(E)-8-[[(1R)-1-naphthalen-1-ylethyl]amino]oct-6-en-4-ynyl]benzenesulfonamide
CID 59562872
6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine
CID 91196178
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol
CID 70834153

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine?
The IUPAC name of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine (CID 59562927) is (E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine.
What is the SMILES notation for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine?
The canonical SMILES for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine is CCCN(CC#C/C=C/CN[C@H](C)c1cccc2ccccc12)CCC.
What is the InChIKey of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine?
The InChIKey is SUXDCSQEHWCMGT-VMLCMGRWSA-N. The full InChI is InChI=1S/C24H32N2/c1-4-18-26(19-5-2)20-11-7-6-10-17-25-21(3)23-16-12-14-22-13-8-9-15-24(22)23/h6,8-10,12-16,21,25H,4-5,17-20H2,1-3H3/b10-6+/t21-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine?
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine has a molecular weight of 348.53 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine is sourced from PubChem (CID 59562927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).