N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine

C19H37NO — CID 64744957

IUPACN-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine
SMILESCC1CCC(CNC(C)C)(OC2CCC(C)C(C)C2)CC1
InChIInChI=1S/C19H37NO/c1-14(2)20-13-19(10-8-15(3)9-11-19)21-18-7-6-16(4)17(5)12-18/h14-18,20H,6-13H2,1-5H3
InChIKeySZPVXYVRCPDCJV-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.77
Rot. Bonds5

About N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine

N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine (PubChem CID 64744957) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine
PubChem CID64744957
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine
SMILESCC1CCC(CNC(C)C)(OC2CCC(C)C(C)C2)CC1
InChIInChI=1S/C19H37NO/c1-14(2)20-13-19(10-8-15(3)9-11-19)21-18-7-6-16(4)17(5)12-18/h14-18,20H,6-13H2,1-5H3
InChIKeySZPVXYVRCPDCJV-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine (CID 64744957) is N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine is CC1CCC(CNC(C)C)(OC2CCC(C)C(C)C2)CC1.
What is the InChIKey of N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine?
The InChIKey is SZPVXYVRCPDCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-14(2)20-13-19(10-8-15(3)9-11-19)21-18-7-6-16(4)17(5)12-18/h14-18,20H,6-13H2,1-5H3.
What are the key properties of N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine?
N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine has a molecular weight of 295.51 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 64744957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).