N-(3,5-dimethylphenyl)-1-propylazepan-4-amine

C17H28N2 — CID 65073149

IUPACN-(3,5-dimethylphenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C17H28N2/c1-4-8-19-9-5-6-16(7-10-19)18-17-12-14(2)11-15(3)13-17/h11-13,16,18H,4-10H2,1-3H3
InChIKeyQXECKHMLESAPIZ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.98
Rot. Bonds4

About N-(3,5-dimethylphenyl)-1-propylazepan-4-amine

N-(3,5-dimethylphenyl)-1-propylazepan-4-amine (PubChem CID 65073149) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-propylazepan-4-amine
PubChem CID65073149
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(3,5-dimethylphenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C17H28N2/c1-4-8-19-9-5-6-16(7-10-19)18-17-12-14(2)11-15(3)13-17/h11-13,16,18H,4-10H2,1-3H3
InChIKeyQXECKHMLESAPIZ-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine
CID 107572074
N-(2-bromo-5-methylphenyl)-1-propylazepan-4-amine
CID 82761578
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine
CID 65072735
5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine
CID 54963571
1-propyl-N-thiophen-3-ylazepan-4-amine
CID 66351874
N-(4-methylsulfonylphenyl)-1-propylazepan-4-amine
CID 65072534
5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 65072952
N-(3-ethynylphenyl)-1-propylazepan-4-amine
CID 65073177
N-methyl-1-propylazepan-4-amine
CID 65072873
N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine
CID 107572762

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-propylazepan-4-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-1-propylazepan-4-amine (CID 65073149) is N-(3,5-dimethylphenyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-propylazepan-4-amine is CCCN1CCCC(Nc2cc(C)cc(C)c2)CC1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-propylazepan-4-amine?
The InChIKey is QXECKHMLESAPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-8-19-9-5-6-16(7-10-19)18-17-12-14(2)11-15(3)13-17/h11-13,16,18H,4-10H2,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-1-propylazepan-4-amine?
N-(3,5-dimethylphenyl)-1-propylazepan-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65073149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).