N-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine

C13H27NO — CID 131965662

IUPACN-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine
SMILESCC(C)NC1CCC(COC(C)C)CC1
InChIInChI=1S/C13H27NO/c1-10(2)14-13-7-5-12(6-8-13)9-15-11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyYKOYLFDVHSAPKQ-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.97
Rot. Bonds5

About N-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine

N-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine (PubChem CID 131965662) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is N-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine
PubChem CID131965662
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC NameN-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine
SMILESCC(C)NC1CCC(COC(C)C)CC1
InChIInChI=1S/C13H27NO/c1-10(2)14-13-7-5-12(6-8-13)9-15-11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyYKOYLFDVHSAPKQ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine?
The IUPAC name of N-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine (CID 131965662) is N-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine.
What is the SMILES notation for N-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine?
The canonical SMILES for N-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine is CC(C)NC1CCC(COC(C)C)CC1.
What is the InChIKey of N-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine?
The InChIKey is YKOYLFDVHSAPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)14-13-7-5-12(6-8-13)9-15-11(3)4/h10-14H,5-9H2,1-4H3.
What are the key properties of N-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine?
N-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(propan-2-yloxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 131965662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).