N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine

C19H37N — CID 65391054

IUPACN-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1CCC(C)CC1)C1CCC(C)(C)CC1
InChIInChI=1S/C19H37N/c1-5-14-20-18(16-8-6-15(2)7-9-16)17-10-12-19(3,4)13-11-17/h15-18,20H,5-14H2,1-4H3
InChIKeyOUOFYANZWZBOHW-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.40
Rot. Bonds5

About N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine

N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine (PubChem CID 65391054) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
PubChem CID65391054
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1CCC(C)CC1)C1CCC(C)(C)CC1
InChIInChI=1S/C19H37N/c1-5-14-20-18(16-8-6-15(2)7-9-16)17-10-12-19(3,4)13-11-17/h15-18,20H,5-14H2,1-4H3
InChIKeyOUOFYANZWZBOHW-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine (CID 65391054) is N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine is CCCNC(C1CCC(C)CC1)C1CCC(C)(C)CC1.
What is the InChIKey of N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The InChIKey is OUOFYANZWZBOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-5-14-20-18(16-8-6-15(2)7-9-16)17-10-12-19(3,4)13-11-17/h15-18,20H,5-14H2,1-4H3.
What are the key properties of N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 65391054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).