N-hex-4-en-3-yl-3-propylheptan-1-imine

C16H31N — CID 123456367

IUPACN-hex-4-en-3-yl-3-propylheptan-1-imine
SMILESCC=CC(CC)/N=C/CC(CCC)CCCC
InChIInChI=1S/C16H31N/c1-5-9-12-15(10-6-2)13-14-17-16(8-4)11-7-3/h7,11,14-16H,5-6,8-10,12-13H2,1-4H3/b11-7?,17-14+
InChIKeyFAJCBSACGMRUQG-OSQBHXSNSA-N
MW237.43 g/mol
LogP5.41
Rot. Bonds10

About N-hex-4-en-3-yl-3-propylheptan-1-imine

N-hex-4-en-3-yl-3-propylheptan-1-imine (PubChem CID 123456367) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-hex-4-en-3-yl-3-propylheptan-1-imine.

Molecular Properties

Compound NameN-hex-4-en-3-yl-3-propylheptan-1-imine
PubChem CID123456367
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-hex-4-en-3-yl-3-propylheptan-1-imine
SMILESCC=CC(CC)/N=C/CC(CCC)CCCC
InChIInChI=1S/C16H31N/c1-5-9-12-15(10-6-2)13-14-17-16(8-4)11-7-3/h7,11,14-16H,5-6,8-10,12-13H2,1-4H3/b11-7?,17-14+
InChIKeyFAJCBSACGMRUQG-OSQBHXSNSA-N
XLogP5.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.41
H-Bond Donors ≤ 50
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

(4Z,8Z)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 20436107
(4Z,8Z)-11-butyl-2,11-diethyl-1-azacyclododeca-4,8,12-triene
CID 20436116
(4Z,8Z)-11-butyl-11-ethyl-2-heptan-3-yl-1-azacyclododeca-4,8,12-triene
CID 20436140
(4Z,8Z)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 20537987
(4E,8E)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 22811540
(4E,8E)-11-butyl-2,11-diethyl-1-azacyclododeca-4,8,12-triene
CID 22811542
(4E,8E)-11-butyl-11-ethyl-2-heptan-3-yl-1-azacyclododeca-4,8,12-triene
CID 22811544
(4E,8E)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 22811545
N-cyclohexyl-1-[(4Z)-cyclooct-4-en-1-yl]methanimine
CID 23391679
11-Methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 53803190
3-Methyl-12-(3-penten-2-yl)-1-aza-1,5,9-cyclododecatriene
CID 54073519
11-Butyl-2,11-diethyl-1-azacyclododeca-4,8,12-triene
CID 54179396

Frequently Asked Questions

What is the IUPAC name of N-hex-4-en-3-yl-3-propylheptan-1-imine?
The IUPAC name of N-hex-4-en-3-yl-3-propylheptan-1-imine (CID 123456367) is N-hex-4-en-3-yl-3-propylheptan-1-imine.
What is the SMILES notation for N-hex-4-en-3-yl-3-propylheptan-1-imine?
The canonical SMILES for N-hex-4-en-3-yl-3-propylheptan-1-imine is CC=CC(CC)/N=C/CC(CCC)CCCC.
What is the InChIKey of N-hex-4-en-3-yl-3-propylheptan-1-imine?
The InChIKey is FAJCBSACGMRUQG-OSQBHXSNSA-N. The full InChI is InChI=1S/C16H31N/c1-5-9-12-15(10-6-2)13-14-17-16(8-4)11-7-3/h7,11,14-16H,5-6,8-10,12-13H2,1-4H3/b11-7?,17-14+.
What are the key properties of N-hex-4-en-3-yl-3-propylheptan-1-imine?
N-hex-4-en-3-yl-3-propylheptan-1-imine has a molecular weight of 237.43 g/mol, XLogP of 5.41, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-4-en-3-yl-3-propylheptan-1-imine is sourced from PubChem (CID 123456367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).