1-methoxy-N-propylhexan-3-imine

C10H21NO — CID 123415502

IUPAC1-methoxy-N-propylhexan-3-imine
SMILESCCC/N=C(\CCC)CCOC
InChIInChI=1S/C10H21NO/c1-4-6-10(7-9-12-3)11-8-5-2/h4-9H2,1-3H3/b11-10+
InChIKeyAKNJGTJHWOMFCF-ZHACJKMWSA-N
MW171.28 g/mol
LogP2.67
Rot. Bonds7

About 1-methoxy-N-propylhexan-3-imine

1-methoxy-N-propylhexan-3-imine (PubChem CID 123415502) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-methoxy-N-propylhexan-3-imine.

Molecular Properties

Compound Name1-methoxy-N-propylhexan-3-imine
PubChem CID123415502
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-methoxy-N-propylhexan-3-imine
SMILESCCC/N=C(\CCC)CCOC
InChIInChI=1S/C10H21NO/c1-4-6-10(7-9-12-3)11-8-5-2/h4-9H2,1-3H3/b11-10+
InChIKeyAKNJGTJHWOMFCF-ZHACJKMWSA-N
XLogP2.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-N-propylhexan-3-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

2-pentyl-5,6-dihydro-4H-1,3-oxazine
CID 11789440
4-Ethyl-2-pentyl-4,5-dihydro-1,3-oxazole
CID 19843977
N-(1-methoxyethyl)cyclohexanimine
CID 21403091
5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole
CID 59089666
4-Methyl-2-pentyl-4,5-dihydro-1,3-oxazole
CID 70405431
N-ethyl-3-hexoxypropan-1-imine
CID 87877005
N-(3-methoxypropyl)hexan-2-imine
CID 123464638
2-Methoxy-6-methyl-2,3,4,5-tetrahydropyridine
CID 141294544
methyl N-methylhexanimidate
CID 144206625
N-(2-methoxyethyl)hexan-3-imine
CID 165392120
N-butyl-4-methoxybutan-2-imine
CID 174378112
5-Propan-2-yliminohexan-1-ol
CID 23268795

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-propylhexan-3-imine?
The IUPAC name of 1-methoxy-N-propylhexan-3-imine (CID 123415502) is 1-methoxy-N-propylhexan-3-imine.
What is the SMILES notation for 1-methoxy-N-propylhexan-3-imine?
The canonical SMILES for 1-methoxy-N-propylhexan-3-imine is CCC/N=C(\CCC)CCOC.
What is the InChIKey of 1-methoxy-N-propylhexan-3-imine?
The InChIKey is AKNJGTJHWOMFCF-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-10(7-9-12-3)11-8-5-2/h4-9H2,1-3H3/b11-10+.
What are the key properties of 1-methoxy-N-propylhexan-3-imine?
1-methoxy-N-propylhexan-3-imine has a molecular weight of 171.28 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-propylhexan-3-imine is sourced from PubChem (CID 123415502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).