1-chloro-4-methylpentan-1-amine

C6H14ClN — CID 147653436

IUPAC1-chloro-4-methylpentan-1-amine
SMILESCC(C)CCC(N)Cl
InChIInChI=1S/C6H14ClN/c1-5(2)3-4-6(7)8/h5-6H,3-4,8H2,1-2H3
InChIKeyGJYOUXVSWUNASP-UHFFFAOYSA-N
MW135.64 g/mol
LogP1.95
Rot. Bonds3

About 1-chloro-4-methylpentan-1-amine

1-chloro-4-methylpentan-1-amine (PubChem CID 147653436) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is 1-chloro-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-chloro-4-methylpentan-1-amine
PubChem CID147653436
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC Name1-chloro-4-methylpentan-1-amine
SMILESCC(C)CCC(N)Cl
InChIInChI=1S/C6H14ClN/c1-5(2)3-4-6(7)8/h5-6H,3-4,8H2,1-2H3
InChIKeyGJYOUXVSWUNASP-UHFFFAOYSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.64
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,8-dimethylnonan-5-amine
CID 15030000
4-methylpentane-1,1-diamine;dihydrochloride
CID 87818690
(5S)-5-chloro-2-methylheptane
CID 3085973
2,3,7-trimethyloctan-4-amine
CID 115834649
1,1-difluoro-5-methylhexan-2-amine
CID 103759774
(2S)-2-amino-5-methylhexane-1,1-diol
CID 134578683
(1S)-1-chloropropan-1-amine
CID 137374711
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
2,9-dimethyl-5,6-bis(3-methylbutyl)decane
CID 139994880
1-chloro-3-fluoropropan-1-amine
CID 57323075
1-chlorodocosan-1-amine
CID 174773966
5-methyl-1-methylsulfanylhexan-2-amine
CID 62693394

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylpentan-1-amine?
The IUPAC name of 1-chloro-4-methylpentan-1-amine (CID 147653436) is 1-chloro-4-methylpentan-1-amine.
What is the SMILES notation for 1-chloro-4-methylpentan-1-amine?
The canonical SMILES for 1-chloro-4-methylpentan-1-amine is CC(C)CCC(N)Cl.
What is the InChIKey of 1-chloro-4-methylpentan-1-amine?
The InChIKey is GJYOUXVSWUNASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClN/c1-5(2)3-4-6(7)8/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 1-chloro-4-methylpentan-1-amine?
1-chloro-4-methylpentan-1-amine has a molecular weight of 135.64 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylpentan-1-amine is sourced from PubChem (CID 147653436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).