(1S)-1-(1-ethoxycyclohexyl)butan-1-amine

C12H25NO — CID 104932321

IUPAC(1S)-1-(1-ethoxycyclohexyl)butan-1-amine
SMILESCCC[C@H](N)C1(OCC)CCCCC1
InChIInChI=1S/C12H25NO/c1-3-8-11(13)12(14-4-2)9-6-5-7-10-12/h11H,3-10,13H2,1-2H3/t11-/m0/s1
InChIKeyKDBOHUXYMYEVPE-NSHDSACASA-N
MW199.34 g/mol
LogP2.85
Rot. Bonds5

About (1S)-1-(1-ethoxycyclohexyl)butan-1-amine

(1S)-1-(1-ethoxycyclohexyl)butan-1-amine (PubChem CID 104932321) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (1S)-1-(1-ethoxycyclohexyl)butan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1-ethoxycyclohexyl)butan-1-amine
PubChem CID104932321
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(1S)-1-(1-ethoxycyclohexyl)butan-1-amine
SMILESCCC[C@H](N)C1(OCC)CCCCC1
InChIInChI=1S/C12H25NO/c1-3-8-11(13)12(14-4-2)9-6-5-7-10-12/h11H,3-10,13H2,1-2H3/t11-/m0/s1
InChIKeyKDBOHUXYMYEVPE-NSHDSACASA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(1-ethoxycyclohexyl)butan-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

1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine
CID 116770638
1-(1-ethoxycyclopentyl)-3-methylhexan-1-amine
CID 116761668
1-(1-ethoxycyclohexyl)hex-4-yn-1-amine
CID 116763508
2-ethoxy-1-(1-ethoxycyclohexyl)ethanamine
CID 116763540
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine
CID 116770663
1-(1-methoxycycloheptyl)hexan-1-amine
CID 116769766
[1-(1-ethoxycyclopentyl)-2-methylpentyl]hydrazine
CID 107895362
1-(1-methoxycyclohexyl)undecan-1-amine
CID 116762708
1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051124
1-(1-methoxycyclopentyl)hexan-1-amine
CID 104610613
2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 116770609

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-ethoxycyclohexyl)butan-1-amine?
The IUPAC name of (1S)-1-(1-ethoxycyclohexyl)butan-1-amine (CID 104932321) is (1S)-1-(1-ethoxycyclohexyl)butan-1-amine.
What is the SMILES notation for (1S)-1-(1-ethoxycyclohexyl)butan-1-amine?
The canonical SMILES for (1S)-1-(1-ethoxycyclohexyl)butan-1-amine is CCC[C@H](N)C1(OCC)CCCCC1.
What is the InChIKey of (1S)-1-(1-ethoxycyclohexyl)butan-1-amine?
The InChIKey is KDBOHUXYMYEVPE-NSHDSACASA-N. The full InChI is InChI=1S/C12H25NO/c1-3-8-11(13)12(14-4-2)9-6-5-7-10-12/h11H,3-10,13H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(1-ethoxycyclohexyl)butan-1-amine?
(1S)-1-(1-ethoxycyclohexyl)butan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-ethoxycyclohexyl)butan-1-amine is sourced from PubChem (CID 104932321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).