2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol

C12H25NOS — CID 116504832

IUPAC2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol
SMILESCCSCCC(CO)NC1CCCCC1
InChIInChI=1S/C12H25NOS/c1-2-15-9-8-12(10-14)13-11-6-4-3-5-7-11/h11-14H,2-10H2,1H3
InChIKeyXENLRFRIXXZHJS-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.41
Rot. Bonds7

About 2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol

2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol (PubChem CID 116504832) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol
PubChem CID116504832
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol
SMILESCCSCCC(CO)NC1CCCCC1
InChIInChI=1S/C12H25NOS/c1-2-15-9-8-12(10-14)13-11-6-4-3-5-7-11/h11-14H,2-10H2,1H3
InChIKeyXENLRFRIXXZHJS-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
2-(cyclohexylamino)-4-ethylsulfanylbutanoic acid
CID 116504388
2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol
CID 61053789
2-(cyclopropylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
CID 106497539
4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol
CID 115894377
N-(3-ethylsulfanylpropyl)cyclohexanamine
CID 62577534
4-benzylsulfanyl-2-(cyclopropylamino)butan-1-ol
CID 64808012
3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol
CID 111449593
4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol
CID 64795522
2-(cyclododecylamino)propan-1-ol
CID 43499740
2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol
CID 64807050
N-(1-methylsulfanylbutan-2-yl)cyclohexanamine
CID 115901653

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol?
The IUPAC name of 2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol (CID 116504832) is 2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol.
What is the SMILES notation for 2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol?
The canonical SMILES for 2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol is CCSCCC(CO)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol?
The InChIKey is XENLRFRIXXZHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-2-15-9-8-12(10-14)13-11-6-4-3-5-7-11/h11-14H,2-10H2,1H3.
What are the key properties of 2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol?
2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol has a molecular weight of 231.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol is sourced from PubChem (CID 116504832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).