2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine

C12H24ClN — CID 10036314

IUPAC2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine
SMILESCC/N=C/C(CCCCl)CC(C)CC
InChIInChI=1S/C12H24ClN/c1-4-11(3)9-12(7-6-8-13)10-14-5-2/h10-12H,4-9H2,1-3H3/b14-10+
InChIKeyNCKQMEZRSGDNIA-GXDHUFHOSA-N
MW217.78 g/mol
LogP4.15
Rot. Bonds8

About 2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine

2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine (PubChem CID 10036314) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is 2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine.

Molecular Properties

Compound Name2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine
PubChem CID10036314
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC Name2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine
SMILESCC/N=C/C(CCCCl)CC(C)CC
InChIInChI=1S/C12H24ClN/c1-4-11(3)9-12(7-6-8-13)10-14-5-2/h10-12H,4-9H2,1-3H3/b14-10+
InChIKeyNCKQMEZRSGDNIA-GXDHUFHOSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.78
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4,7-trimethyl-2-propylnonan-1-imine
CID 163631549
5-chloro-2-ethylpentanal
CID 13118181
1,7-dichloro-4-methylheptane
CID 175347315
N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine
CID 10060177
N-tert-butyl-2-(3-chloropropyl)-4-methylhexan-1-amine
CID 10243715
(3R,7R)-3,7-dimethylnonane
CID 42626759
(4S)-1,4-dichloro-3,6-dimethyloctane
CID 155032918
1-chloro-8-methyl-3-nitrosodecane
CID 143714871
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355
lithium tetrakis(3-methylpentyl)alumanuide
CID 135050487
alumane;5-methylheptanal
CID 175597367
1-chloro-4-methylhexadecane
CID 88652760

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine?
The IUPAC name of 2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine (CID 10036314) is 2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine.
What is the SMILES notation for 2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine?
The canonical SMILES for 2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine is CC/N=C/C(CCCCl)CC(C)CC.
What is the InChIKey of 2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine?
The InChIKey is NCKQMEZRSGDNIA-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H24ClN/c1-4-11(3)9-12(7-6-8-13)10-14-5-2/h10-12H,4-9H2,1-3H3/b14-10+.
What are the key properties of 2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine?
2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine has a molecular weight of 217.78 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine is sourced from PubChem (CID 10036314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).