N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride

C14H25ClN2 — CID 17290940

IUPACN,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride
SMILESCCCCCNCc1ccc(N(C)C)cc1.Cl
InChIInChI=1S/C14H24N2.ClH/c1-4-5-6-11-15-12-13-7-9-14(10-8-13)16(2)3;/h7-10,15H,4-6,11-12H2,1-3H3;1H
InChIKeyXQNNECPXWRVTOC-UHFFFAOYSA-N
MW256.82 g/mol
LogP3.45
Rot. Bonds7

About N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride

N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride (PubChem CID 17290940) has the molecular formula C14H25ClN2 and a molecular weight of 256.82 g/mol. Its IUPAC name is N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride
PubChem CID17290940
Molecular FormulaC14H25ClN2
Molecular Weight256.82 g/mol
Exact Mass256.17
IUPAC NameN,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride
SMILESCCCCCNCc1ccc(N(C)C)cc1.Cl
InChIInChI=1S/C14H24N2.ClH/c1-4-5-6-11-15-12-13-7-9-14(10-8-13)16(2)3;/h7-10,15H,4-6,11-12H2,1-3H3;1H
InChIKeyXQNNECPXWRVTOC-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine;tetrahydrochloride
CID 3029600
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine
CID 3029601
N,N-diethyl-4-[(hexylamino)methyl]aniline;hydrochloride
CID 17293948
N,N-diethyl-4-[(heptylamino)methyl]aniline;hydrochloride
CID 17293965
N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17291031
N,N-ditert-butyl-4-[(hexylamino)methyl]aniline
CID 54404643
4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride
CID 17207022
N-[(4-methylphenyl)methyl]octan-1-amine;hydrochloride
CID 17331169
N,N-dimethyl-4-[(4,4,4-trifluorobutylamino)methyl]aniline
CID 79039488
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N,N-dibutyl-4-(butylaminomethyl)aniline
CID 134517429
N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17331857

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride?
The IUPAC name of N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride (CID 17290940) is N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride.
What is the SMILES notation for N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride?
The canonical SMILES for N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride is CCCCCNCc1ccc(N(C)C)cc1.Cl.
What is the InChIKey of N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride?
The InChIKey is XQNNECPXWRVTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.ClH/c1-4-5-6-11-15-12-13-7-9-14(10-8-13)16(2)3;/h7-10,15H,4-6,11-12H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride?
N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride has a molecular weight of 256.82 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride is sourced from PubChem (CID 17290940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).