N-butylhept-5-en-1-imine

C11H21N — CID 91465252

IUPACN-butylhept-5-en-1-imine
SMILESCC=CCCC/C=N/CCCC
InChIInChI=1S/C11H21N/c1-3-5-7-8-9-11-12-10-6-4-2/h3,5,11H,4,6-10H2,1-2H3/b5-3?,12-11+
InChIKeySJXLECWKCXXXJI-NQULFOQKSA-N
MW167.30 g/mol
LogP3.60
Rot. Bonds7

About N-butylhept-5-en-1-imine

N-butylhept-5-en-1-imine (PubChem CID 91465252) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-butylhept-5-en-1-imine.

Molecular Properties

Compound NameN-butylhept-5-en-1-imine
PubChem CID91465252
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-butylhept-5-en-1-imine
SMILESCC=CCCC/C=N/CCCC
InChIInChI=1S/C11H21N/c1-3-5-7-8-9-11-12-10-6-4-2/h3,5,11H,4,6-10H2,1-2H3/b5-3?,12-11+
InChIKeySJXLECWKCXXXJI-NQULFOQKSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butylhept-5-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
Azacyclotetradeca-1,8-diene
CID 129657727
Squalene N-methylimine
CID 6450082
(E)-N,N'-dipentylpent-2-ene-1,5-diimine
CID 19025926
(4Z,8Z)-1-azacyclododeca-4,8,12-triene
CID 20405358
Oct-3-en-1-imine
CID 53787635
1-Azacyclododeca-4,8,12-triene
CID 53824618
N-methylicos-11-en-1-imine
CID 53865000
N,N'-dipentylpent-2-ene-1,5-diimine
CID 54354710
N-hexylhex-3-en-1-imine
CID 56985502
N-pentylhex-5-en-1-imine
CID 57013677

Frequently Asked Questions

What is the IUPAC name of N-butylhept-5-en-1-imine?
The IUPAC name of N-butylhept-5-en-1-imine (CID 91465252) is N-butylhept-5-en-1-imine.
What is the SMILES notation for N-butylhept-5-en-1-imine?
The canonical SMILES for N-butylhept-5-en-1-imine is CC=CCCC/C=N/CCCC.
What is the InChIKey of N-butylhept-5-en-1-imine?
The InChIKey is SJXLECWKCXXXJI-NQULFOQKSA-N. The full InChI is InChI=1S/C11H21N/c1-3-5-7-8-9-11-12-10-6-4-2/h3,5,11H,4,6-10H2,1-2H3/b5-3?,12-11+.
What are the key properties of N-butylhept-5-en-1-imine?
N-butylhept-5-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylhept-5-en-1-imine is sourced from PubChem (CID 91465252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).