4-chloro-3-methylpentan-1-amine

C6H14ClN — CID 90302099

IUPAC4-chloro-3-methylpentan-1-amine
SMILESCC(Cl)C(C)CCN
InChIInChI=1S/C6H14ClN/c1-5(3-4-8)6(2)7/h5-6H,3-4,8H2,1-2H3
InChIKeyUIGMSVWBDOXJKX-UHFFFAOYSA-N
MW135.64 g/mol
LogP1.60
Rot. Bonds3

About 4-chloro-3-methylpentan-1-amine

4-chloro-3-methylpentan-1-amine (PubChem CID 90302099) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is 4-chloro-3-methylpentan-1-amine.

Molecular Properties

Compound Name4-chloro-3-methylpentan-1-amine
PubChem CID90302099
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC Name4-chloro-3-methylpentan-1-amine
SMILESCC(Cl)C(C)CCN
InChIInChI=1S/C6H14ClN/c1-5(3-4-8)6(2)7/h5-6H,3-4,8H2,1-2H3
InChIKeyUIGMSVWBDOXJKX-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-5-amino-2,3-dimethylpentan-1-ol
CID 174320236
3,4-dimethyldecane-1,10-diamine
CID 118234620
(3R,4R)-6-amino-4-methylhexan-3-ol
CID 96637634
3,5-dimethylhex-5-en-1-amine
CID 81013069
4-ethyl-3-methylheptan-1-amine
CID 143231179
(2S)-2-methylbutane-1,4-diamine
CID 51382069
2-chlorobutane-1,4-diamine
CID 18330832
3-ethyl-4-methylhexan-1-amine
CID 123538643
5-chloro-3-methylpentan-1-amine;hydrochloride
CID 87553105
(4S)-4-ethenylsulfanyl-3-methylpentan-1-amine
CID 167189841
1,4-diamino-2-methylbutane-1-sulfonic acid
CID 158087776
4-chloro-3-methyl-1-(trifluoromethylsulfanyl)pentane
CID 116617366

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylpentan-1-amine?
The IUPAC name of 4-chloro-3-methylpentan-1-amine (CID 90302099) is 4-chloro-3-methylpentan-1-amine.
What is the SMILES notation for 4-chloro-3-methylpentan-1-amine?
The canonical SMILES for 4-chloro-3-methylpentan-1-amine is CC(Cl)C(C)CCN.
What is the InChIKey of 4-chloro-3-methylpentan-1-amine?
The InChIKey is UIGMSVWBDOXJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClN/c1-5(3-4-8)6(2)7/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 4-chloro-3-methylpentan-1-amine?
4-chloro-3-methylpentan-1-amine has a molecular weight of 135.64 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylpentan-1-amine is sourced from PubChem (CID 90302099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).