N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine

C19H37NO — CID 64732041

IUPACN-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OC2CC(C)CC(C)C2)CCC(C)CC1
InChIInChI=1S/C19H37NO/c1-5-10-20-14-19(8-6-15(2)7-9-19)21-18-12-16(3)11-17(4)13-18/h15-18,20H,5-14H2,1-4H3
InChIKeyAZCKEYXLHHFZGD-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.78
Rot. Bonds6

About N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine

N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine (PubChem CID 64732041) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine
PubChem CID64732041
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OC2CC(C)CC(C)C2)CCC(C)CC1
InChIInChI=1S/C19H37NO/c1-5-10-20-14-19(8-6-15(2)7-9-19)21-18-12-16(3)11-17(4)13-18/h15-18,20H,5-14H2,1-4H3
InChIKeyAZCKEYXLHHFZGD-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine (CID 64732041) is N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine is CCCNCC1(OC2CC(C)CC(C)C2)CCC(C)CC1.
What is the InChIKey of N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine?
The InChIKey is AZCKEYXLHHFZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-5-10-20-14-19(8-6-15(2)7-9-19)21-18-12-16(3)11-17(4)13-18/h15-18,20H,5-14H2,1-4H3.
What are the key properties of N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine?
N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 64732041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).