N-(cyclohexylmethyl)pentan-1-amine;hydrochloride

C12H26ClN — CID 17157685

IUPACN-(cyclohexylmethyl)pentan-1-amine;hydrochloride
SMILESCCCCCNCC1CCCCC1.Cl
InChIInChI=1S/C12H25N.ClH/c1-2-3-7-10-13-11-12-8-5-4-6-9-12;/h12-13H,2-11H2,1H3;1H
InChIKeyOYQRDOGTXNFLKL-UHFFFAOYSA-N
MW219.80 g/mol
LogP3.77
Rot. Bonds6

About N-(cyclohexylmethyl)pentan-1-amine;hydrochloride

N-(cyclohexylmethyl)pentan-1-amine;hydrochloride (PubChem CID 17157685) has the molecular formula C12H26ClN and a molecular weight of 219.80 g/mol. Its IUPAC name is N-(cyclohexylmethyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclohexylmethyl)pentan-1-amine;hydrochloride
PubChem CID17157685
Molecular FormulaC12H26ClN
Molecular Weight219.80 g/mol
Exact Mass219.18
IUPAC NameN-(cyclohexylmethyl)pentan-1-amine;hydrochloride
SMILESCCCCCNCC1CCCCC1.Cl
InChIInChI=1S/C12H25N.ClH/c1-2-3-7-10-13-11-12-8-5-4-6-9-12;/h12-13H,2-11H2,1H3;1H
InChIKeyOYQRDOGTXNFLKL-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)pentan-1-amine;hydrochloride?
The IUPAC name of N-(cyclohexylmethyl)pentan-1-amine;hydrochloride (CID 17157685) is N-(cyclohexylmethyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for N-(cyclohexylmethyl)pentan-1-amine;hydrochloride?
The canonical SMILES for N-(cyclohexylmethyl)pentan-1-amine;hydrochloride is CCCCCNCC1CCCCC1.Cl.
What is the InChIKey of N-(cyclohexylmethyl)pentan-1-amine;hydrochloride?
The InChIKey is OYQRDOGTXNFLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.ClH/c1-2-3-7-10-13-11-12-8-5-4-6-9-12;/h12-13H,2-11H2,1H3;1H.
What are the key properties of N-(cyclohexylmethyl)pentan-1-amine;hydrochloride?
N-(cyclohexylmethyl)pentan-1-amine;hydrochloride has a molecular weight of 219.80 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 17157685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).