3-(cyclohexylmethoxy)-N-ethylbutan-1-amine

C13H27NO — CID 114999307

IUPAC3-(cyclohexylmethoxy)-N-ethylbutan-1-amine
SMILESCCNCCC(C)OCC1CCCCC1
InChIInChI=1S/C13H27NO/c1-3-14-10-9-12(2)15-11-13-7-5-4-6-8-13/h12-14H,3-11H2,1-2H3
InChIKeyXRCDVUGUCOXBDN-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About 3-(cyclohexylmethoxy)-N-ethylbutan-1-amine

3-(cyclohexylmethoxy)-N-ethylbutan-1-amine (PubChem CID 114999307) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-N-ethylbutan-1-amine
PubChem CID114999307
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(cyclohexylmethoxy)-N-ethylbutan-1-amine
SMILESCCNCCC(C)OCC1CCCCC1
InChIInChI=1S/C13H27NO/c1-3-14-10-9-12(2)15-11-13-7-5-4-6-8-13/h12-14H,3-11H2,1-2H3
InChIKeyXRCDVUGUCOXBDN-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(cyclohexylmethoxy)-N-ethylbutan-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

Related Compounds

3-(2-ethylhexoxy)-N-methylpropan-1-amine
CID 57887541
1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine
CID 84720013
3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine
CID 84724790
(5aR,9aS)-2-methyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[f][1,4]oxazepine
CID 11819443
trans-(1R,2R)-2-(ethylaminomethyl)cyclohexan-1-ol
CID 13427951
4-(2-Cyclohexylethoxy)piperidine
CID 17202830
3-(1-Cyclohexylethoxy)propan-1-amine
CID 23302935
4-[(4-Methylcyclohexyl)oxy]piperidine
CID 24695664
3-[(4-Methylcyclohexyl)oxymethyl]piperidine
CID 24705619
4-(Cyclohexylmethoxy)piperidine
CID 26188599
(3R)-3-(cyclohexylmethoxy)pyrrolidine
CID 26191801
(3S)-3-(cyclohexylmethoxy)pyrrolidine
CID 26191804

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-N-ethylbutan-1-amine?
The IUPAC name of 3-(cyclohexylmethoxy)-N-ethylbutan-1-amine (CID 114999307) is 3-(cyclohexylmethoxy)-N-ethylbutan-1-amine.
What is the SMILES notation for 3-(cyclohexylmethoxy)-N-ethylbutan-1-amine?
The canonical SMILES for 3-(cyclohexylmethoxy)-N-ethylbutan-1-amine is CCNCCC(C)OCC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethoxy)-N-ethylbutan-1-amine?
The InChIKey is XRCDVUGUCOXBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-14-10-9-12(2)15-11-13-7-5-4-6-8-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-(cyclohexylmethoxy)-N-ethylbutan-1-amine?
3-(cyclohexylmethoxy)-N-ethylbutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-N-ethylbutan-1-amine is sourced from PubChem (CID 114999307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).