2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine

C17H35N — CID 103961516

IUPAC2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine
SMILESCCCNC(C(C)C)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H35N/c1-8-9-18-15(13(2)3)14-10-16(4,5)12-17(6,7)11-14/h13-15,18H,8-12H2,1-7H3
InChIKeyJSDABJBORARWMW-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.86
Rot. Bonds5

About 2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine

2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine (PubChem CID 103961516) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine
PubChem CID103961516
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine
SMILESCCCNC(C(C)C)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H35N/c1-8-9-18-15(13(2)3)14-10-16(4,5)12-17(6,7)11-14/h13-15,18H,8-12H2,1-7H3
InChIKeyJSDABJBORARWMW-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 63935267
1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine
CID 114978751
N-[1-(3,3-dimethylcyclohexyl)ethyl]propan-1-amine
CID 66437223
N-[1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004121
1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 104988659
1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 104990778
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-methylpropan-1-amine
CID 107004101
1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine
CID 154626432
1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
CID 106077363
N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 65391054
1-(3-ethylcyclopentyl)-2-methyl-N-propylpentan-1-amine
CID 114013790
1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 104584711

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine?
The IUPAC name of 2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine (CID 103961516) is 2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine is CCCNC(C(C)C)C1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine?
The InChIKey is JSDABJBORARWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-8-9-18-15(13(2)3)14-10-16(4,5)12-17(6,7)11-14/h13-15,18H,8-12H2,1-7H3.
What are the key properties of 2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine?
2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1-(3,3,5,5-tetramethylcyclohexyl)propan-1-amine is sourced from PubChem (CID 103961516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).