2-methyldec-3-en-1-imine

C11H21N — CID 57110449

IUPAC2-methyldec-3-en-1-imine
SMILES[H]/N=C/C(C)C=CCCCCCC
InChIInChI=1S/C11H21N/c1-3-4-5-6-7-8-9-11(2)10-12/h8-12H,3-7H2,1-2H3/b9-8?,12-10+
InChIKeyRBQZOMPDUBUDTL-HYSGBWKPSA-N
MW167.30 g/mol
LogP3.80
Rot. Bonds7

About 2-methyldec-3-en-1-imine

2-methyldec-3-en-1-imine (PubChem CID 57110449) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-methyldec-3-en-1-imine.

Molecular Properties

Compound Name2-methyldec-3-en-1-imine
PubChem CID57110449
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-methyldec-3-en-1-imine
SMILES[H]/N=C/C(C)C=CCCCCCC
InChIInChI=1S/C11H21N/c1-3-4-5-6-7-8-9-11(2)10-12/h8-12H,3-7H2,1-2H3/b9-8?,12-10+
InChIKeyRBQZOMPDUBUDTL-HYSGBWKPSA-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'}

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Related Compounds

(Z)-6-fluoro-2-methylhept-3-en-1-imine
CID 88562245
(2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine
CID 146318082
(E)-octadec-9-en-1-imine
CID 19602050
Oct-3-en-1-imine
CID 53787635
Oct-2-en-1-imine
CID 54327783
Dodec-2-en-1-imine
CID 54566412
2-Methylpent-3-en-1-imine
CID 56620219
Octadec-3-en-1-imine
CID 57154526
2-Methylhex-3-en-1-imine
CID 57195916
6-Ethylideneundecan-1-imine
CID 87825837
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923
2-Cyclohex-2-en-1-ylethanimine
CID 89097602

Frequently Asked Questions

What is the IUPAC name of 2-methyldec-3-en-1-imine?
The IUPAC name of 2-methyldec-3-en-1-imine (CID 57110449) is 2-methyldec-3-en-1-imine.
What is the SMILES notation for 2-methyldec-3-en-1-imine?
The canonical SMILES for 2-methyldec-3-en-1-imine is [H]/N=C/C(C)C=CCCCCCC.
What is the InChIKey of 2-methyldec-3-en-1-imine?
The InChIKey is RBQZOMPDUBUDTL-HYSGBWKPSA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-5-6-7-8-9-11(2)10-12/h8-12H,3-7H2,1-2H3/b9-8?,12-10+.
What are the key properties of 2-methyldec-3-en-1-imine?
2-methyldec-3-en-1-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 2-methyldec-3-en-1-imine is sourced from PubChem (CID 57110449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).