3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide

C15H27N3O — CID 62807129

IUPAC3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide
SMILESNCC1CCCC(C(=O)NC2CCN3CCCC23)C1
InChIInChI=1S/C15H27N3O/c16-10-11-3-1-4-12(9-11)15(19)17-13-6-8-18-7-2-5-14(13)18/h11-14H,1-10,16H2,(H,17,19)
InChIKeyYNJJEBWVAITHID-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.10
Rot. Bonds3

About 3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide

3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide (PubChem CID 62807129) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide
PubChem CID62807129
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide
SMILESNCC1CCCC(C(=O)NC2CCN3CCCC23)C1
InChIInChI=1S/C15H27N3O/c16-10-11-3-1-4-12(9-11)15(19)17-13-6-8-18-7-2-5-14(13)18/h11-14H,1-10,16H2,(H,17,19)
InChIKeyYNJJEBWVAITHID-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide (CID 62807129) is 3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide is NCC1CCCC(C(=O)NC2CCN3CCCC23)C1.
What is the InChIKey of 3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is YNJJEBWVAITHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c16-10-11-3-1-4-12(9-11)15(19)17-13-6-8-18-7-2-5-14(13)18/h11-14H,1-10,16H2,(H,17,19).
What are the key properties of 3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide?
3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62807129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).