6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine

C12H26ClN — CID 62227650

IUPAC6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine
SMILESCN(CCCCCCCl)CC(C)(C)C
InChIInChI=1S/C12H26ClN/c1-12(2,3)11-14(4)10-8-6-5-7-9-13/h5-11H2,1-4H3
InChIKeyOPHZKIZPNXROJV-UHFFFAOYSA-N
MW219.80 g/mol
LogP3.76
Rot. Bonds7

About 6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine

6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine (PubChem CID 62227650) has the molecular formula C12H26ClN and a molecular weight of 219.80 g/mol. Its IUPAC name is 6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine
PubChem CID62227650
Molecular FormulaC12H26ClN
Molecular Weight219.80 g/mol
Exact Mass219.18
IUPAC Name6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine
SMILESCN(CCCCCCCl)CC(C)(C)C
InChIInChI=1S/C12H26ClN/c1-12(2,3)11-14(4)10-8-6-5-7-9-13/h5-11H2,1-4H3
InChIKeyOPHZKIZPNXROJV-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.80
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-chloro-N-methylpentan-1-amine
CID 61287321
N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 63700093
N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine
CID 62461728
N-(chloromethyl)-N,2,2-trimethylpropan-1-amine
CID 115263125
12-chloro-N,N-dimethyldodecan-1-amine
CID 71338336
N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
CID 90148563
6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile
CID 106709964
5-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 107205079
N-(2-iodoethyl)-N,2,2-trimethylpropan-1-amine
CID 130693540
4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 58066360
N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride
CID 141033111
5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide
CID 76928038

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine?
The IUPAC name of 6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine (CID 62227650) is 6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine.
What is the SMILES notation for 6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine?
The canonical SMILES for 6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine is CN(CCCCCCCl)CC(C)(C)C.
What is the InChIKey of 6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine?
The InChIKey is OPHZKIZPNXROJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClN/c1-12(2,3)11-14(4)10-8-6-5-7-9-13/h5-11H2,1-4H3.
What are the key properties of 6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine?
6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine has a molecular weight of 219.80 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine is sourced from PubChem (CID 62227650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).