1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide

C14H25N3O — CID 82853864

IUPAC1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
SMILESNC(=O)C1(NC2CCCCC2)CCN2CCCC21
InChIInChI=1S/C14H25N3O/c15-13(18)14(16-11-5-2-1-3-6-11)8-10-17-9-4-7-12(14)17/h11-12,16H,1-10H2,(H2,15,18)
InChIKeyJNKQRVJJIVAUSH-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.00
Rot. Bonds3

About 1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide

1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide (PubChem CID 82853864) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
PubChem CID82853864
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
SMILESNC(=O)C1(NC2CCCCC2)CCN2CCCC21
InChIInChI=1S/C14H25N3O/c15-13(18)14(16-11-5-2-1-3-6-11)8-10-17-9-4-7-12(14)17/h11-12,16H,1-10H2,(H2,15,18)
InChIKeyJNKQRVJJIVAUSH-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82844697
1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853335
1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853255
1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853168
1-(3-chloroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853504
1-(cyclopentylamino)-2-methylcyclohexane-1-carboxamide
CID 61001241
ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82857077
4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide
CID 105365360
1-(cyclopentylamino)cyclopropane-1-carboxamide
CID 103950092
methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82857076
1-(4-chloroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid
CID 82856204
methyl 1-(2-azidoethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82856860

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide?
The IUPAC name of 1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide (CID 82853864) is 1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide.
What is the SMILES notation for 1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide?
The canonical SMILES for 1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide is NC(=O)C1(NC2CCCCC2)CCN2CCCC21.
What is the InChIKey of 1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide?
The InChIKey is JNKQRVJJIVAUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c15-13(18)14(16-11-5-2-1-3-6-11)8-10-17-9-4-7-12(14)17/h11-12,16H,1-10H2,(H2,15,18).
What are the key properties of 1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide?
1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide is sourced from PubChem (CID 82853864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).