3-methyldec-1-en-5-imine

C11H21N — CID 123614740

IUPAC3-methyldec-1-en-5-imine
SMILES[H]/N=C(\CCCCC)CC(C)C=C
InChIInChI=1S/C11H21N/c1-4-6-7-8-11(12)9-10(3)5-2/h5,10,12H,2,4,6-9H2,1,3H3/b12-11+
InChIKeyDLXFBXRWTXPLCO-VAWYXSNFSA-N
MW167.30 g/mol
LogP3.80
Rot. Bonds7

About 3-methyldec-1-en-5-imine

3-methyldec-1-en-5-imine (PubChem CID 123614740) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-methyldec-1-en-5-imine.

Molecular Properties

Compound Name3-methyldec-1-en-5-imine
PubChem CID123614740
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-methyldec-1-en-5-imine
SMILES[H]/N=C(\CCCCC)CC(C)C=C
InChIInChI=1S/C11H21N/c1-4-6-7-8-11(12)9-10(3)5-2/h5,10,12H,2,4,6-9H2,1,3H3/b12-11+
InChIKeyDLXFBXRWTXPLCO-VAWYXSNFSA-N
XLogP3.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
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 3-methyldec-1-en-5-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

1,1,1-Trifluoro-2-methyloct-7-en-4-imine
CID 139423692
(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine
CID 139423709
(2S)-1-cyclohex-3-en-1-yl-2-methylbutan-1-imine
CID 89058429
(E)-2,6-dimethyloct-6-en-3-imine
CID 89688388
5-(2-Ethenylcyclopropyl)pent-1-en-3-imine
CID 90754586
3-(2-Methylprop-2-enyl)-4-propyloctan-2-imine
CID 90894242
1-[2-[(4-Methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine
CID 90959682
4-Methylhept-6-en-3-imine
CID 123204332
2,6-Dimethyloct-6-en-3-imine
CID 123208621
6-Ethyl-4,7-dimethyloct-7-en-2-imine
CID 123222470
4-Ethyl-10-methylundec-1-en-3-imine
CID 123243555
3-Methyl-5-methylideneheptan-2-imine
CID 123288208

Frequently Asked Questions

What is the IUPAC name of 3-methyldec-1-en-5-imine?
The IUPAC name of 3-methyldec-1-en-5-imine (CID 123614740) is 3-methyldec-1-en-5-imine.
What is the SMILES notation for 3-methyldec-1-en-5-imine?
The canonical SMILES for 3-methyldec-1-en-5-imine is [H]/N=C(\CCCCC)CC(C)C=C.
What is the InChIKey of 3-methyldec-1-en-5-imine?
The InChIKey is DLXFBXRWTXPLCO-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N/c1-4-6-7-8-11(12)9-10(3)5-2/h5,10,12H,2,4,6-9H2,1,3H3/b12-11+.
What are the key properties of 3-methyldec-1-en-5-imine?
3-methyldec-1-en-5-imine has a molecular weight of 167.30 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyldec-1-en-5-imine is sourced from PubChem (CID 123614740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).