N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride

C15H26ClN — CID 17331857

IUPACN-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
SMILESCCCCCNCc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C15H25N.ClH/c1-4-5-6-11-16-12-14-7-9-15(10-8-14)13(2)3;/h7-10,13,16H,4-6,11-12H2,1-3H3;1H
InChIKeySGBMOANTBRZSDW-UHFFFAOYSA-N
MW255.83 g/mol
LogP4.51
Rot. Bonds7

About N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride

N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride (PubChem CID 17331857) has the molecular formula C15H26ClN and a molecular weight of 255.83 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
PubChem CID17331857
Molecular FormulaC15H26ClN
Molecular Weight255.83 g/mol
Exact Mass255.18
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
SMILESCCCCCNCc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C15H25N.ClH/c1-4-5-6-11-16-12-14-7-9-15(10-8-14)13(2)3;/h7-10,13,16H,4-6,11-12H2,1-3H3;1H
InChIKeySGBMOANTBRZSDW-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.83
LogP ≤ 54.51
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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Related Compounds

4-iodo-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 106844555
N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17291031
N'-[3-[(4-propan-2-ylphenyl)methylamino]propyl]butane-1,4-diamine
CID 58965144
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
5-methylsulfanyl-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 114126756
N-[(4-methylphenyl)methyl]octan-1-amine;hydrochloride
CID 17331169
4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 106122009
N',N'-diethyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17331877
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride
CID 17290940
4-[(4-propan-2-ylphenyl)methylamino]butanamide
CID 60863561

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride (CID 17331857) is N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride is CCCCCNCc1ccc(C(C)C)cc1.Cl.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride?
The InChIKey is SGBMOANTBRZSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N.ClH/c1-4-5-6-11-16-12-14-7-9-15(10-8-14)13(2)3;/h7-10,13,16H,4-6,11-12H2,1-3H3;1H.
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride?
N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride has a molecular weight of 255.83 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride is sourced from PubChem (CID 17331857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).