3-propylhex-5-en-2-imine

C9H17N — CID 142132618

IUPAC3-propylhex-5-en-2-imine
SMILES[H]/N=C(\C)C(CC=C)CCC
InChIInChI=1S/C9H17N/c1-4-6-9(7-5-2)8(3)10/h4,9-10H,1,5-7H2,2-3H3/b10-8+
InChIKeyZLFNZBCAWPOAKB-CSKARUKUSA-N
MW139.24 g/mol
LogP3.02
Rot. Bonds5

About 3-propylhex-5-en-2-imine

3-propylhex-5-en-2-imine (PubChem CID 142132618) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-propylhex-5-en-2-imine.

Molecular Properties

Compound Name3-propylhex-5-en-2-imine
PubChem CID142132618
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-propylhex-5-en-2-imine
SMILES[H]/N=C(\C)C(CC=C)CCC
InChIInChI=1S/C9H17N/c1-4-6-9(7-5-2)8(3)10/h4,9-10H,1,5-7H2,2-3H3/b10-8+
InChIKeyZLFNZBCAWPOAKB-CSKARUKUSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Ethenyl-1-fluorocyclopropyl)ethanimine
CID 142996690
1-Cyclohex-3-en-1-ylethanimine
CID 88885301
(E)-5-ethyl-6-methylundec-6-en-4-imine
CID 89117109
(Z)-4,5-dimethylhept-5-en-2-imine
CID 89961034
2-Methyloct-5-en-4-imine
CID 90985822
(Z)-5-ethyl-3-methyloct-3-en-2-imine
CID 91076242
2,5-Dimethylhept-1-en-3-imine
CID 91222633
2-Propylcyclopent-3-en-1-imine
CID 91310848
1-Cyclohex-3-en-1-ylpropan-1-imine
CID 91368930
(2Z)-6-methylnona-2,7-dien-4-imine
CID 91416730
4-Methylhept-5-en-2-imine
CID 91433524
1-(4-Methylcyclobut-2-en-1-yl)propan-1-imine
CID 121480638

Frequently Asked Questions

What is the IUPAC name of 3-propylhex-5-en-2-imine?
The IUPAC name of 3-propylhex-5-en-2-imine (CID 142132618) is 3-propylhex-5-en-2-imine.
What is the SMILES notation for 3-propylhex-5-en-2-imine?
The canonical SMILES for 3-propylhex-5-en-2-imine is [H]/N=C(\C)C(CC=C)CCC.
What is the InChIKey of 3-propylhex-5-en-2-imine?
The InChIKey is ZLFNZBCAWPOAKB-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-9(7-5-2)8(3)10/h4,9-10H,1,5-7H2,2-3H3/b10-8+.
What are the key properties of 3-propylhex-5-en-2-imine?
3-propylhex-5-en-2-imine has a molecular weight of 139.24 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylhex-5-en-2-imine is sourced from PubChem (CID 142132618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).