3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide

C15H29N3O — CID 79637102

IUPAC3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCCC(N2CCCC2C)C1
InChIInChI=1S/C15H29N3O/c1-11(2)17-15(14(16)19)8-4-7-13(10-15)18-9-5-6-12(18)3/h11-13,17H,4-10H2,1-3H3,(H2,16,19)
InChIKeyDRIMKRHWSVPTSX-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.64
Rot. Bonds4

About 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide

3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 79637102) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
PubChem CID79637102
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCCC(N2CCCC2C)C1
InChIInChI=1S/C15H29N3O/c1-11(2)17-15(14(16)19)8-4-7-13(10-15)18-9-5-6-12(18)3/h11-13,17H,4-10H2,1-3H3,(H2,16,19)
InChIKeyDRIMKRHWSVPTSX-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649532
3-(2-methylazepan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79633722
3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79626631
ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636107
methyl 1-(ethylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636339
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649924
ethyl 1-(methylamino)-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 79637035
3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636030
3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651689
1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79636119
3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639998
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641560

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide (CID 79637102) is 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide is CC(C)NC1(C(N)=O)CCCC(N2CCCC2C)C1.
What is the InChIKey of 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is DRIMKRHWSVPTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11(2)17-15(14(16)19)8-4-7-13(10-15)18-9-5-6-12(18)3/h11-13,17H,4-10H2,1-3H3,(H2,16,19).
What are the key properties of 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).