5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine

C13H26ClN — CID 106141095

IUPAC5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CCCCl)CNCC1CCCC1
InChIInChI=1S/C13H26ClN/c1-13(2,8-5-9-14)11-15-10-12-6-3-4-7-12/h12,15H,3-11H2,1-2H3
InChIKeyXPPGROGMIHNQHF-UHFFFAOYSA-N
MW231.81 g/mol
LogP3.81
Rot. Bonds7

About 5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine

5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine (PubChem CID 106141095) has the molecular formula C13H26ClN and a molecular weight of 231.81 g/mol. Its IUPAC name is 5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine
PubChem CID106141095
Molecular FormulaC13H26ClN
Molecular Weight231.81 g/mol
Exact Mass231.18
IUPAC Name5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CCCCl)CNCC1CCCC1
InChIInChI=1S/C13H26ClN/c1-13(2,8-5-9-14)11-15-10-12-6-3-4-7-12/h12,15H,3-11H2,1-2H3
InChIKeyXPPGROGMIHNQHF-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.81
LogP ≤ 53.81
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

5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897688
N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine
CID 106141048
N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
N-(cyclohexylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 115757000
5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine
CID 106140982
5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol
CID 114224006
N-(cyclohexylmethyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 115255287
6-chloro-N-(cyclohexylmethyl)hexan-1-amine
CID 107845744
3-(cyclopentylmethylamino)-2-methylpropane-1,2-diol
CID 66171290
5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile
CID 115652002
5-chloro-N,2,2-trimethylpentan-1-amine
CID 106140604
N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide
CID 106144658

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine (CID 106141095) is 5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine is CC(C)(CCCCl)CNCC1CCCC1.
What is the InChIKey of 5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine?
The InChIKey is XPPGROGMIHNQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClN/c1-13(2,8-5-9-14)11-15-10-12-6-3-4-7-12/h12,15H,3-11H2,1-2H3.
What are the key properties of 5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine?
5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine has a molecular weight of 231.81 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 106141095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).