5-chloro-N,2,2-trimethylpentan-1-amine

C8H18ClN — CID 106140604

IUPAC5-chloro-N,2,2-trimethylpentan-1-amine
SMILESCNCC(C)(C)CCCCl
InChIInChI=1S/C8H18ClN/c1-8(2,7-10-3)5-4-6-9/h10H,4-7H2,1-3H3
InChIKeyWLRNWPRGCUEVCB-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.25
Rot. Bonds5

About 5-chloro-N,2,2-trimethylpentan-1-amine

5-chloro-N,2,2-trimethylpentan-1-amine (PubChem CID 106140604) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is 5-chloro-N,2,2-trimethylpentan-1-amine.

Molecular Properties

Compound Name5-chloro-N,2,2-trimethylpentan-1-amine
PubChem CID106140604
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name5-chloro-N,2,2-trimethylpentan-1-amine
SMILESCNCC(C)(C)CCCCl
InChIInChI=1S/C8H18ClN/c1-8(2,7-10-3)5-4-6-9/h10H,4-7H2,1-3H3
InChIKeyWLRNWPRGCUEVCB-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.25
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

N,2,2-trimethyloctan-1-amine
CID 62723717
N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine
CID 106142341
1-chloro-4,4-dimethylpentane
CID 524245
5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine
CID 106140659
5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine
CID 106140982
N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine
CID 106141048
5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 106140823
5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine
CID 65097556
5-chloro-1-methoxy-2,2-dimethylpentane
CID 165443489
5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine
CID 106141095
N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide
CID 106144319
N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine
CID 106142257

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,2,2-trimethylpentan-1-amine?
The IUPAC name of 5-chloro-N,2,2-trimethylpentan-1-amine (CID 106140604) is 5-chloro-N,2,2-trimethylpentan-1-amine.
What is the SMILES notation for 5-chloro-N,2,2-trimethylpentan-1-amine?
The canonical SMILES for 5-chloro-N,2,2-trimethylpentan-1-amine is CNCC(C)(C)CCCCl.
What is the InChIKey of 5-chloro-N,2,2-trimethylpentan-1-amine?
The InChIKey is WLRNWPRGCUEVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClN/c1-8(2,7-10-3)5-4-6-9/h10H,4-7H2,1-3H3.
What are the key properties of 5-chloro-N,2,2-trimethylpentan-1-amine?
5-chloro-N,2,2-trimethylpentan-1-amine has a molecular weight of 163.69 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,2,2-trimethylpentan-1-amine is sourced from PubChem (CID 106140604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).