3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol

C10H20N2O — CID 80561124

IUPAC3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol
SMILESNC1CCCC(O)(C2CCCN2)C1
InChIInChI=1S/C10H20N2O/c11-8-3-1-5-10(13,7-8)9-4-2-6-12-9/h8-9,12-13H,1-7,11H2
InChIKeyXFXOQXPGAKIXHY-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.37
Rot. Bonds1

About 3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol

3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol (PubChem CID 80561124) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol
PubChem CID80561124
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol
SMILESNC1CCCC(O)(C2CCCN2)C1
InChIInChI=1S/C10H20N2O/c11-8-3-1-5-10(13,7-8)9-4-2-6-12-9/h8-9,12-13H,1-7,11H2
InChIKeyXFXOQXPGAKIXHY-UHFFFAOYSA-N
XLogP0.37
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol?
The IUPAC name of 3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol (CID 80561124) is 3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol is NC1CCCC(O)(C2CCCN2)C1.
What is the InChIKey of 3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol?
The InChIKey is XFXOQXPGAKIXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c11-8-3-1-5-10(13,7-8)9-4-2-6-12-9/h8-9,12-13H,1-7,11H2.
What are the key properties of 3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol?
3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol is sourced from PubChem (CID 80561124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).