N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine

C18H29N — CID 81027499

IUPACN-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1cc(C)ccc1C
InChIInChI=1S/C18H29N/c1-4-11-19-13-16-7-5-6-8-17(16)18-12-14(2)9-10-15(18)3/h9-10,12,16-17,19H,4-8,11,13H2,1-3H3
InChIKeyBGSOLAVZFOWQMJ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.58
Rot. Bonds5

About N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine

N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81027499) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine
PubChem CID81027499
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1cc(C)ccc1C
InChIInChI=1S/C18H29N/c1-4-11-19-13-16-7-5-6-8-17(16)18-12-14(2)9-10-15(18)3/h9-10,12,16-17,19H,4-8,11,13H2,1-3H3
InChIKeyBGSOLAVZFOWQMJ-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.58
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

N-[[2-(2,3-dimethylphenyl)cycloheptyl]methyl]propan-1-amine
CID 81025199
N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-1-amine
CID 81034471
N-[[2-(4-chloro-2-fluorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027639
N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017220
N-[[2-(2-chlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 81026699
N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine
CID 81027905
N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine
CID 115375664
N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81026756
N-[[2-(2,4-dimethylphenyl)oxan-3-yl]methyl]propan-1-amine
CID 79365822
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027836
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine (CID 81027499) is N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCCCC1c1cc(C)ccc1C.
What is the InChIKey of N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is BGSOLAVZFOWQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-11-19-13-16-7-5-6-8-17(16)18-12-14(2)9-10-15(18)3/h9-10,12,16-17,19H,4-8,11,13H2,1-3H3.
What are the key properties of N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine?
N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81027499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).