4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol

C13H24N2O — CID 82853106

IUPAC4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol
SMILESOC1CCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C13H24N2O/c16-11-5-3-10(4-6-11)14-12-7-9-15-8-1-2-13(12)15/h10-14,16H,1-9H2
InChIKeyPXJWSADHRRIERK-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.12
Rot. Bonds2

About 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol

4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol (PubChem CID 82853106) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol
PubChem CID82853106
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol
SMILESOC1CCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C13H24N2O/c16-11-5-3-10(4-6-11)14-12-7-9-15-8-1-2-13(12)15/h10-14,16H,1-9H2
InChIKeyPXJWSADHRRIERK-UHFFFAOYSA-N
XLogP1.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol (CID 82853106) is 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol is OC1CCC(NC2CCN3CCCC23)CC1.
What is the InChIKey of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol?
The InChIKey is PXJWSADHRRIERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-11-5-3-10(4-6-11)14-12-7-9-15-8-1-2-13(12)15/h10-14,16H,1-9H2.
What are the key properties of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol?
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 82853106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).