3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol

C17H33NOS — CID 106309376

IUPAC3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNC1CCCCC1C1CCCCC1
InChIInChI=1S/C17H33NOS/c19-12-6-13-20-14-11-18-17-10-5-4-9-16(17)15-7-2-1-3-8-15/h15-19H,1-14H2
InChIKeyKYYYVMLSAXDAFD-UHFFFAOYSA-N
MW299.52 g/mol
LogP3.83
Rot. Bonds8

About 3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol

3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol (PubChem CID 106309376) has the molecular formula C17H33NOS and a molecular weight of 299.52 g/mol. Its IUPAC name is 3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
PubChem CID106309376
Molecular FormulaC17H33NOS
Molecular Weight299.52 g/mol
Exact Mass299.23
IUPAC Name3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNC1CCCCC1C1CCCCC1
InChIInChI=1S/C17H33NOS/c19-12-6-13-20-14-11-18-17-10-5-4-9-16(17)15-7-2-1-3-8-15/h15-19H,1-14H2
InChIKeyKYYYVMLSAXDAFD-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.52
LogP ≤ 53.83
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

trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclohexan-1-ol
CID 106310392
3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
CID 106309489
2-[2-(3-hydroxypropylsulfanyl)ethylamino]cycloheptane-1-carbonitrile
CID 114171871
trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol
CID 106310200
2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 63983395
N'-(2-cyclohexylcyclohexyl)ethane-1,2-diamine
CID 60889120
3-[2-(piperidin-3-ylamino)ethylsulfanyl]propan-1-ol
CID 106309561
3-[2-(azepan-4-ylamino)ethylsulfanyl]propan-1-ol
CID 106309417
N-but-3-enyl-2-cyclohexylcyclohexan-1-amine
CID 113465420
2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol
CID 65313032
3-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfanyl]propan-1-ol
CID 104868554
N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine
CID 146209039

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol (CID 106309376) is 3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol is OCCCSCCNC1CCCCC1C1CCCCC1.
What is the InChIKey of 3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol?
The InChIKey is KYYYVMLSAXDAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NOS/c19-12-6-13-20-14-11-18-17-10-5-4-9-16(17)15-7-2-1-3-8-15/h15-19H,1-14H2.
What are the key properties of 3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol?
3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol has a molecular weight of 299.52 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106309376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).