(2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol

C21H42N2O2 — CID 162645081

IUPAC(2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol
SMILESN[C@H]1CN[C@H](CCCCCCCCCCOCC2CCCCC2)[C@H]1O
InChIInChI=1S/C21H42N2O2/c22-19-16-23-20(21(19)24)14-10-5-3-1-2-4-6-11-15-25-17-18-12-8-7-9-13-18/h18-21,23-24H,1-17,22H2/t19-,20+,21-/m0/s1
InChIKeyZFCJLIHVCGSNOR-HBMCJLEFSA-N
MW354.58 g/mol
LogP3.75
Rot. Bonds13

About (2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol

(2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol (PubChem CID 162645081) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is (2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol
PubChem CID162645081
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name(2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol
SMILESN[C@H]1CN[C@H](CCCCCCCCCCOCC2CCCCC2)[C@H]1O
InChIInChI=1S/C21H42N2O2/c22-19-16-23-20(21(19)24)14-10-5-3-1-2-4-6-11-15-25-17-18-12-8-7-9-13-18/h18-21,23-24H,1-17,22H2/t19-,20+,21-/m0/s1
InChIKeyZFCJLIHVCGSNOR-HBMCJLEFSA-N
XLogP3.75
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol?
The IUPAC name of (2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol (CID 162645081) is (2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol.
What is the SMILES notation for (2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol?
The canonical SMILES for (2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol is N[C@H]1CN[C@H](CCCCCCCCCCOCC2CCCCC2)[C@H]1O.
What is the InChIKey of (2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol?
The InChIKey is ZFCJLIHVCGSNOR-HBMCJLEFSA-N. The full InChI is InChI=1S/C21H42N2O2/c22-19-16-23-20(21(19)24)14-10-5-3-1-2-4-6-11-15-25-17-18-12-8-7-9-13-18/h18-21,23-24H,1-17,22H2/t19-,20+,21-/m0/s1.
What are the key properties of (2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol?
(2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol has a molecular weight of 354.58 g/mol, XLogP of 3.75, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-amino-2-[10-(cyclohexylmethoxy)decyl]pyrrolidin-3-ol is sourced from PubChem (CID 162645081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).