N-dec-1-enylbutan-2-imine

C14H27N — CID 141138013

IUPACN-dec-1-enylbutan-2-imine
SMILESCCCCCCCCC=C/N=C(\C)CC
InChIInChI=1S/C14H27N/c1-4-6-7-8-9-10-11-12-13-15-14(3)5-2/h12-13H,4-11H2,1-3H3/b13-12?,15-14+
InChIKeyMCRHVZAZUYHHAC-NSZRYNETSA-N
MW209.38 g/mol
LogP5.12
Rot. Bonds9

About N-dec-1-enylbutan-2-imine

N-dec-1-enylbutan-2-imine (PubChem CID 141138013) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-dec-1-enylbutan-2-imine.

Molecular Properties

Compound NameN-dec-1-enylbutan-2-imine
PubChem CID141138013
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-dec-1-enylbutan-2-imine
SMILESCCCCCCCCC=C/N=C(\C)CC
InChIInChI=1S/C14H27N/c1-4-6-7-8-9-10-11-12-13-15-14(3)5-2/h12-13H,4-11H2,1-3H3/b13-12?,15-14+
InChIKeyMCRHVZAZUYHHAC-NSZRYNETSA-N
XLogP5.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500209.38
LogP ≤ 55.12
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'}

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Related Compounds

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N-oct-1-enyloctan-1-imine
CID 53886192
N-hex-1-enylhexan-1-imine
CID 53896020
N-dec-1-enylethanimine
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N-dec-1-enyldecan-1-imine
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Frequently Asked Questions

What is the IUPAC name of N-dec-1-enylbutan-2-imine?
The IUPAC name of N-dec-1-enylbutan-2-imine (CID 141138013) is N-dec-1-enylbutan-2-imine.
What is the SMILES notation for N-dec-1-enylbutan-2-imine?
The canonical SMILES for N-dec-1-enylbutan-2-imine is CCCCCCCCC=C/N=C(\C)CC.
What is the InChIKey of N-dec-1-enylbutan-2-imine?
The InChIKey is MCRHVZAZUYHHAC-NSZRYNETSA-N. The full InChI is InChI=1S/C14H27N/c1-4-6-7-8-9-10-11-12-13-15-14(3)5-2/h12-13H,4-11H2,1-3H3/b13-12?,15-14+.
What are the key properties of N-dec-1-enylbutan-2-imine?
N-dec-1-enylbutan-2-imine has a molecular weight of 209.38 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dec-1-enylbutan-2-imine is sourced from PubChem (CID 141138013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).