(2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol

C20H40N2O — CID 154640831

IUPAC(2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol
SMILESN[C@H]1CN[C@H](CCCCCCCCCCC2CCCCC2)[C@H]1O
InChIInChI=1S/C20H40N2O/c21-18-16-22-19(20(18)23)15-11-6-4-2-1-3-5-8-12-17-13-9-7-10-14-17/h17-20,22-23H,1-16,21H2/t18-,19+,20-/m0/s1
InChIKeyPZAVOQFOQWHLPC-ZCNNSNEGSA-N
MW324.55 g/mol
LogP4.13
Rot. Bonds11

About (2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol

(2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol (PubChem CID 154640831) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is (2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol
PubChem CID154640831
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name(2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol
SMILESN[C@H]1CN[C@H](CCCCCCCCCCC2CCCCC2)[C@H]1O
InChIInChI=1S/C20H40N2O/c21-18-16-22-19(20(18)23)15-11-6-4-2-1-3-5-8-12-17-13-9-7-10-14-17/h17-20,22-23H,1-16,21H2/t18-,19+,20-/m0/s1
InChIKeyPZAVOQFOQWHLPC-ZCNNSNEGSA-N
XLogP4.13
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-tetradecylpyrrolidin-3-ol
CID 75576772
4-cyclopentylbutylcyclohexane
CID 144547696
11-cyclohexylundecan-1-ol
CID 18980516
4-[10-[(2R,3S,4S)-4-amino-3-hydroxypyrrolidin-2-yl]decoxymethyl]benzonitrile
CID 160942801
6-cyclohexylhexan-1-amine
CID 19875455
5-cyclobutylpentylcyclobutane
CID 173228999
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
18-cyclohexyloctadecanamide
CID 70490920
4-cycloheptylbutan-1-ol
CID 54439965
8-cyclopentyloctan-1-ol
CID 19083491
(2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol
CID 45380291
3-cyclobutylpropylcyclohexane
CID 54165208

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol?
The IUPAC name of (2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol (CID 154640831) is (2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol.
What is the SMILES notation for (2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol?
The canonical SMILES for (2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol is N[C@H]1CN[C@H](CCCCCCCCCCC2CCCCC2)[C@H]1O.
What is the InChIKey of (2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol?
The InChIKey is PZAVOQFOQWHLPC-ZCNNSNEGSA-N. The full InChI is InChI=1S/C20H40N2O/c21-18-16-22-19(20(18)23)15-11-6-4-2-1-3-5-8-12-17-13-9-7-10-14-17/h17-20,22-23H,1-16,21H2/t18-,19+,20-/m0/s1.
What are the key properties of (2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol?
(2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol has a molecular weight of 324.55 g/mol, XLogP of 4.13, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol is sourced from PubChem (CID 154640831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).