N-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine

C14H29NO — CID 138728448

IUPACN-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine
SMILESCC(C)CN(C)C1CCC(OC(C)C)CC1
InChIInChI=1S/C14H29NO/c1-11(2)10-15(5)13-6-8-14(9-7-13)16-12(3)4/h11-14H,6-10H2,1-5H3
InChIKeyPYOKYFSEXUAWEJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.31
Rot. Bonds5

About N-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine

N-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine (PubChem CID 138728448) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine
PubChem CID138728448
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine
SMILESCC(C)CN(C)C1CCC(OC(C)C)CC1
InChIInChI=1S/C14H29NO/c1-11(2)10-15(5)13-6-8-14(9-7-13)16-12(3)4/h11-14H,6-10H2,1-5H3
InChIKeyPYOKYFSEXUAWEJ-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-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-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine?
The IUPAC name of N-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine (CID 138728448) is N-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine is CC(C)CN(C)C1CCC(OC(C)C)CC1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine?
The InChIKey is PYOKYFSEXUAWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)10-15(5)13-6-8-14(9-7-13)16-12(3)4/h11-14H,6-10H2,1-5H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine?
N-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine is sourced from PubChem (CID 138728448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).