1-(3,5-dimethylphenyl)-5-methylhexan-1-amine

C15H25N — CID 105028512

IUPAC1-(3,5-dimethylphenyl)-5-methylhexan-1-amine
SMILESCc1cc(C)cc(C(N)CCCC(C)C)c1
InChIInChI=1S/C15H25N/c1-11(2)6-5-7-15(16)14-9-12(3)8-13(4)10-14/h8-11,15H,5-7,16H2,1-4H3
InChIKeyYECMHNAOUAXNRO-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.13
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-5-methylhexan-1-amine

1-(3,5-dimethylphenyl)-5-methylhexan-1-amine (PubChem CID 105028512) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5-methylhexan-1-amine
PubChem CID105028512
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(3,5-dimethylphenyl)-5-methylhexan-1-amine
SMILESCc1cc(C)cc(C(N)CCCC(C)C)c1
InChIInChI=1S/C15H25N/c1-11(2)6-5-7-15(16)14-9-12(3)8-13(4)10-14/h8-11,15H,5-7,16H2,1-4H3
InChIKeyYECMHNAOUAXNRO-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dimethylphenyl)-5-methylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167
(1R)-1-(3,5-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171202162
1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine
CID 114201703
2-amino-2-(3,5-dimethylphenyl)ethanol
CID 60756661
1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine
CID 83161704
1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine
CID 105028693
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
4-(1-amino-5-methylhexyl)-N,N-dimethylaniline
CID 105177155
5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine
CID 105028980
(1S)-4-methyl-1-(3,4,5-trifluorophenyl)pentan-1-amine
CID 171225417
2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol
CID 104554566
4-(1-amino-5-methylhexyl)benzoic acid
CID 67326826

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-5-methylhexan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-5-methylhexan-1-amine (CID 105028512) is 1-(3,5-dimethylphenyl)-5-methylhexan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5-methylhexan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5-methylhexan-1-amine is Cc1cc(C)cc(C(N)CCCC(C)C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-5-methylhexan-1-amine?
The InChIKey is YECMHNAOUAXNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11(2)6-5-7-15(16)14-9-12(3)8-13(4)10-14/h8-11,15H,5-7,16H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-5-methylhexan-1-amine?
1-(3,5-dimethylphenyl)-5-methylhexan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-5-methylhexan-1-amine is sourced from PubChem (CID 105028512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).