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

C14H25N3O — CID 82853124

IUPAC4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C14H25N3O/c15-14(18)10-3-5-11(6-4-10)16-12-7-9-17-8-1-2-13(12)17/h10-13,16H,1-9H2,(H2,15,18)
InChIKeyWGSZLBHWBKFXEN-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.86
Rot. Bonds3

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

4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide (PubChem CID 82853124) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide
PubChem CID82853124
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C14H25N3O/c15-14(18)10-3-5-11(6-4-10)16-12-7-9-17-8-1-2-13(12)17/h10-13,16H,1-9H2,(H2,15,18)
InChIKeyWGSZLBHWBKFXEN-UHFFFAOYSA-N
XLogP0.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.86
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)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide (CID 82853124) is 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide is NC(=O)C1CCC(NC2CCN3CCCC23)CC1.
What is the InChIKey of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide?
The InChIKey is WGSZLBHWBKFXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c15-14(18)10-3-5-11(6-4-10)16-12-7-9-17-8-1-2-13(12)17/h10-13,16H,1-9H2,(H2,15,18).
What are the key properties of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide?
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 0.86, 3 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)cyclohexane-1-carboxamide is sourced from PubChem (CID 82853124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).