(1R)-1-(3,5-dimethylphenyl)hexan-1-amine

C14H23N — CID 171202167

IUPAC(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1cc(C)cc(C)c1
InChIInChI=1S/C14H23N/c1-4-5-6-7-14(15)13-9-11(2)8-12(3)10-13/h8-10,14H,4-7,15H2,1-3H3/t14-/m1/s1
InChIKeyGUDUXDIZWQSFMC-CQSZACIVSA-N
MW205.34 g/mol
LogP3.88
Rot. Bonds5

About (1R)-1-(3,5-dimethylphenyl)hexan-1-amine

(1R)-1-(3,5-dimethylphenyl)hexan-1-amine (PubChem CID 171202167) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (1R)-1-(3,5-dimethylphenyl)hexan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
PubChem CID171202167
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1cc(C)cc(C)c1
InChIInChI=1S/C14H23N/c1-4-5-6-7-14(15)13-9-11(2)8-12(3)10-13/h8-10,14H,4-7,15H2,1-3H3/t14-/m1/s1
InChIKeyGUDUXDIZWQSFMC-CQSZACIVSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.88
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

1-(3-chloro-5-methylphenyl)decan-1-amine
CID 115831880
1-(3-chloro-5-methylphenyl)nonan-1-amine
CID 115835851
(1R)-1-(3,5-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171202162
1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105023199
1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105022916
1,3-dimethyl-5-octan-3-ylbenzene
CID 19963892
1-(3,5-dimethylphenyl)-5-methylhexan-1-amine
CID 105028512
(1S)-1-(3,5-dichlorophenyl)hexan-1-amine
CID 171222079
1-(3,5-difluorophenyl)hexan-1-amine
CID 62605213
1,3-dimethyl-5-tetradecan-2-ylbenzene
CID 54014931
1-(4-bromo-3,5-dimethylphenyl)heptan-1-amine
CID 114330157
4-(1-aminooctyl)aniline
CID 137458153

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dimethylphenyl)hexan-1-amine?
The IUPAC name of (1R)-1-(3,5-dimethylphenyl)hexan-1-amine (CID 171202167) is (1R)-1-(3,5-dimethylphenyl)hexan-1-amine.
What is the SMILES notation for (1R)-1-(3,5-dimethylphenyl)hexan-1-amine?
The canonical SMILES for (1R)-1-(3,5-dimethylphenyl)hexan-1-amine is CCCCC[C@@H](N)c1cc(C)cc(C)c1.
What is the InChIKey of (1R)-1-(3,5-dimethylphenyl)hexan-1-amine?
The InChIKey is GUDUXDIZWQSFMC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23N/c1-4-5-6-7-14(15)13-9-11(2)8-12(3)10-13/h8-10,14H,4-7,15H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-(3,5-dimethylphenyl)hexan-1-amine?
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dimethylphenyl)hexan-1-amine is sourced from PubChem (CID 171202167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).