3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol

C15H31NO2 — CID 114358302

IUPAC3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol
SMILESCCC1CCCC(OC(CO)C(N)CC(C)C)C1
InChIInChI=1S/C15H31NO2/c1-4-12-6-5-7-13(9-12)18-15(10-17)14(16)8-11(2)3/h11-15,17H,4-10,16H2,1-3H3
InChIKeyDUKWZXRKBWGBFS-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.71
Rot. Bonds7

About 3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol

3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol (PubChem CID 114358302) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol
PubChem CID114358302
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol
SMILESCCC1CCCC(OC(CO)C(N)CC(C)C)C1
InChIInChI=1S/C15H31NO2/c1-4-12-6-5-7-13(9-12)18-15(10-17)14(16)8-11(2)3/h11-15,17H,4-10,16H2,1-3H3
InChIKeyDUKWZXRKBWGBFS-UHFFFAOYSA-N
XLogP2.71
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylcyclohexyl)oxypropane-1,3-diol
CID 139529013
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810
3-amino-2-cyclobutyloxy-4-methylpentan-1-ol
CID 114358246
(3-ethylcyclohexyl) (2R)-2-aminopropanoate
CID 78967083
(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol
CID 64898525
4-(3-ethylcyclohexyl)oxy-N-propylpentan-2-amine
CID 64719133
2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol
CID 64807526
1-(3-ethylcyclohexyl)oxy-3-methylbutan-2-one
CID 79396137
3-amino-2-cyclobutyloxy-3-cyclopropylpropan-1-ol
CID 114358245
2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
CID 64750376
(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78967085

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol?
The IUPAC name of 3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol (CID 114358302) is 3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol.
What is the SMILES notation for 3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol?
The canonical SMILES for 3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol is CCC1CCCC(OC(CO)C(N)CC(C)C)C1.
What is the InChIKey of 3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol?
The InChIKey is DUKWZXRKBWGBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-12-6-5-7-13(9-12)18-15(10-17)14(16)8-11(2)3/h11-15,17H,4-10,16H2,1-3H3.
What are the key properties of 3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol?
3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol is sourced from PubChem (CID 114358302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).