N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine

C14H29NO — CID 103271077

IUPACN-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine
SMILESCCOCC(NCC1CCCCC1)C(C)C
InChIInChI=1S/C14H29NO/c1-4-16-11-14(12(2)3)15-10-13-8-6-5-7-9-13/h12-15H,4-11H2,1-3H3
InChIKeyWOUUNAVTRSAGKB-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine

N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine (PubChem CID 103271077) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine
PubChem CID103271077
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine
SMILESCCOCC(NCC1CCCCC1)C(C)C
InChIInChI=1S/C14H29NO/c1-4-16-11-14(12(2)3)15-10-13-8-6-5-7-9-13/h12-15H,4-11H2,1-3H3
InChIKeyWOUUNAVTRSAGKB-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103271084
N-cyclopentyl-2-[(1-ethoxy-3-methylbutan-2-yl)amino]acetamide
CID 114114926
(1-ethoxy-3-methylbutan-2-yl)hydrazine
CID 105199529
1-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
CID 103845943
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
(3-cyclopropyl-1-ethoxybutan-2-yl)hydrazine
CID 105321199
N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
CID 103490752
4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine
CID 105008032
2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide
CID 114113785
N-(1-ethoxy-3-methylbutan-2-yl)-2-methylcyclopentan-1-amine
CID 103271639

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine (CID 103271077) is N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine is CCOCC(NCC1CCCCC1)C(C)C.
What is the InChIKey of N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine?
The InChIKey is WOUUNAVTRSAGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-16-11-14(12(2)3)15-10-13-8-6-5-7-9-13/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine?
N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine is sourced from PubChem (CID 103271077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).