N-[(E)-hept-3-en-3-yl]propan-2-imine

C10H19N — CID 90908636

IUPACN-[(E)-hept-3-en-3-yl]propan-2-imine
SMILESCCC/C=C(\CC)N=C(C)C
InChIInChI=1S/C10H19N/c1-5-7-8-10(6-2)11-9(3)4/h8H,5-7H2,1-4H3/b10-8+
InChIKeyJMTVBPQIYXCWJW-CSKARUKUSA-N
MW153.27 g/mol
LogP3.56
Rot. Bonds4

About N-[(E)-hept-3-en-3-yl]propan-2-imine

N-[(E)-hept-3-en-3-yl]propan-2-imine (PubChem CID 90908636) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-[(E)-hept-3-en-3-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(E)-hept-3-en-3-yl]propan-2-imine
PubChem CID90908636
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-[(E)-hept-3-en-3-yl]propan-2-imine
SMILESCCC/C=C(\CC)N=C(C)C
InChIInChI=1S/C10H19N/c1-5-7-8-10(6-2)11-9(3)4/h8H,5-7H2,1-4H3/b10-8+
InChIKeyJMTVBPQIYXCWJW-CSKARUKUSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5Hlutidine
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(E)-3-fluoro-N-prop-1-en-2-ylpent-3-en-2-imine
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N-[(E)-hept-3-en-4-yl]heptan-4-imine
CID 135049490
3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine
CID 168972427
3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine
CID 177040906
2,5-dimethyl-3H-pyrrole
CID 20592628
2-methyl-5-propan-2-yl-3H-pyrrole
CID 58477147
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-3,3-dimethylbutan-2-imine
CID 59179919
(Z)-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782212
5-ethyl-2-ethyl-3H-pyrrole;tungsten
CID 59834186
5-ethyl-2-methanidyl-3H-pyrrole;tungsten
CID 59834198

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hept-3-en-3-yl]propan-2-imine?
The IUPAC name of N-[(E)-hept-3-en-3-yl]propan-2-imine (CID 90908636) is N-[(E)-hept-3-en-3-yl]propan-2-imine.
What is the SMILES notation for N-[(E)-hept-3-en-3-yl]propan-2-imine?
The canonical SMILES for N-[(E)-hept-3-en-3-yl]propan-2-imine is CCC/C=C(\CC)N=C(C)C.
What is the InChIKey of N-[(E)-hept-3-en-3-yl]propan-2-imine?
The InChIKey is JMTVBPQIYXCWJW-CSKARUKUSA-N. The full InChI is InChI=1S/C10H19N/c1-5-7-8-10(6-2)11-9(3)4/h8H,5-7H2,1-4H3/b10-8+.
What are the key properties of N-[(E)-hept-3-en-3-yl]propan-2-imine?
N-[(E)-hept-3-en-3-yl]propan-2-imine has a molecular weight of 153.27 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hept-3-en-3-yl]propan-2-imine is sourced from PubChem (CID 90908636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).