3-(hept-2-enylideneamino)propan-1-amine

C10H20N2 — CID 123193439

IUPAC3-(hept-2-enylideneamino)propan-1-amine
SMILESCCCCC=C/C=N/CCCN
InChIInChI=1S/C10H20N2/c1-2-3-4-5-6-9-12-10-7-8-11/h5-6,9H,2-4,7-8,10-11H2,1H3/b6-5?,12-9+
InChIKeyQLDSXJWSYMQGEH-UIVVCGMHSA-N
MW168.28 g/mol
LogP2.15
Rot. Bonds7

About 3-(hept-2-enylideneamino)propan-1-amine

3-(hept-2-enylideneamino)propan-1-amine (PubChem CID 123193439) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-(hept-2-enylideneamino)propan-1-amine.

Molecular Properties

Compound Name3-(hept-2-enylideneamino)propan-1-amine
PubChem CID123193439
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-(hept-2-enylideneamino)propan-1-amine
SMILESCCCCC=C/C=N/CCCN
InChIInChI=1S/C10H20N2/c1-2-3-4-5-6-9-12-10-7-8-11/h5-6,9H,2-4,7-8,10-11H2,1H3/b6-5?,12-9+
InChIKeyQLDSXJWSYMQGEH-UIVVCGMHSA-N
XLogP2.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 118719543
[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 172018331
3-(Octadec-3-enylideneamino)propan-1-amine
CID 57133410
[[(2E)-hepta-2,5-dienylidene]amino]methanamine
CID 91299929
(2E)-N-methylnona-2,7-dien-1-imine
CID 123259957
(7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine
CID 123352256
N-methyl-8-methyliminooct-2-en-1-amine
CID 123352487
(E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine
CID 142777641
(Z)-N-methylhex-2-en-1-imine;pentane
CID 143714813
(3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine
CID 143776829
(2S)-2-methyl-2,3-dihydropyridin-3-amine;propane
CID 143817204
(Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine
CID 145137752

Frequently Asked Questions

What is the IUPAC name of 3-(hept-2-enylideneamino)propan-1-amine?
The IUPAC name of 3-(hept-2-enylideneamino)propan-1-amine (CID 123193439) is 3-(hept-2-enylideneamino)propan-1-amine.
What is the SMILES notation for 3-(hept-2-enylideneamino)propan-1-amine?
The canonical SMILES for 3-(hept-2-enylideneamino)propan-1-amine is CCCCC=C/C=N/CCCN.
What is the InChIKey of 3-(hept-2-enylideneamino)propan-1-amine?
The InChIKey is QLDSXJWSYMQGEH-UIVVCGMHSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-3-4-5-6-9-12-10-7-8-11/h5-6,9H,2-4,7-8,10-11H2,1H3/b6-5?,12-9+.
What are the key properties of 3-(hept-2-enylideneamino)propan-1-amine?
3-(hept-2-enylideneamino)propan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hept-2-enylideneamino)propan-1-amine is sourced from PubChem (CID 123193439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).