N-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine

C13H27NO — CID 106874658

IUPACN-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine
SMILESCCNC(C(C)C)C1CCCCC1OC
InChIInChI=1S/C13H27NO/c1-5-14-13(10(2)3)11-8-6-7-9-12(11)15-4/h10-14H,5-9H2,1-4H3
InChIKeyMMMXFXKPXQWNMJ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds5

About N-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine

N-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine (PubChem CID 106874658) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine
PubChem CID106874658
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine
SMILESCCNC(C(C)C)C1CCCCC1OC
InChIInChI=1S/C13H27NO/c1-5-14-13(10(2)3)11-8-6-7-9-12(11)15-4/h10-14H,5-9H2,1-4H3
InChIKeyMMMXFXKPXQWNMJ-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-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-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine (CID 106874658) is N-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine is CCNC(C(C)C)C1CCCCC1OC.
What is the InChIKey of N-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine?
The InChIKey is MMMXFXKPXQWNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-14-13(10(2)3)11-8-6-7-9-12(11)15-4/h10-14H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine?
N-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxycyclohexyl)-2-methylpropan-1-amine is sourced from PubChem (CID 106874658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).