N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide

C12H23N3O — CID 63142128

IUPACN-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC2CCC(N)CC2)CCNC1
InChIInChI=1S/C12H23N3O/c1-12(6-7-14-8-12)11(16)15-10-4-2-9(13)3-5-10/h9-10,14H,2-8,13H2,1H3,(H,15,16)
InChIKeyJRUIFOCQJBPAKX-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.37
Rot. Bonds2

About N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide

N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 63142128) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID63142128
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC2CCC(N)CC2)CCNC1
InChIInChI=1S/C12H23N3O/c1-12(6-7-14-8-12)11(16)15-10-4-2-9(13)3-5-10/h9-10,14H,2-8,13H2,1H3,(H,15,16)
InChIKeyJRUIFOCQJBPAKX-UHFFFAOYSA-N
XLogP0.37
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63123013
3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119779385
3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide
CID 115738917
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
N-(4-ethylcyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63122348
4-methyl-N-(4-propylcyclohexyl)piperidine-4-carboxamide
CID 63122402
3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 63130240
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119864812
N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708209
3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 63139406
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119701111

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide (CID 63142128) is N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NC2CCC(N)CC2)CCNC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is JRUIFOCQJBPAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(6-7-14-8-12)11(16)15-10-4-2-9(13)3-5-10/h9-10,14H,2-8,13H2,1H3,(H,15,16).
What are the key properties of N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide?
N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63142128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).