N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine

C14H29N3 — CID 142358558

IUPACN,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine
SMILESCC/C(=C(C)\N=C(/C)C(C)C)N(C)CCNC
InChIInChI=1S/C14H29N3/c1-8-14(17(7)10-9-15-6)13(5)16-12(4)11(2)3/h11,15H,8-10H2,1-7H3/b14-13+,16-12+
InChIKeyBKGKUMNYRWOUKQ-FHRFHXRFSA-N
MW239.41 g/mol
LogP2.90
Rot. Bonds7

About N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine

N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine (PubChem CID 142358558) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine
PubChem CID142358558
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine
SMILESCC/C(=C(C)\N=C(/C)C(C)C)N(C)CCNC
InChIInChI=1S/C14H29N3/c1-8-14(17(7)10-9-15-6)13(5)16-12(4)11(2)3/h11,15H,8-10H2,1-7H3/b14-13+,16-12+
InChIKeyBKGKUMNYRWOUKQ-FHRFHXRFSA-N
XLogP2.90
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358571
3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358572
N,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine
CID 142358586
N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine
CID 142358553

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine (CID 142358558) is N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine is CC/C(=C(C)\N=C(/C)C(C)C)N(C)CCNC.
What is the InChIKey of N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine?
The InChIKey is BKGKUMNYRWOUKQ-FHRFHXRFSA-N. The full InChI is InChI=1S/C14H29N3/c1-8-14(17(7)10-9-15-6)13(5)16-12(4)11(2)3/h11,15H,8-10H2,1-7H3/b14-13+,16-12+.
What are the key properties of N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine has a molecular weight of 239.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 142358558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).