4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide

C13H25N3O — CID 115150628

IUPAC4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)NC2CCN(C)C2)CC1
InChIInChI=1S/C13H25N3O/c1-14-11-5-3-10(4-6-11)13(17)15-12-7-8-16(2)9-12/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyHZMKBFYSOBTABV-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.58
Rot. Bonds3

About 4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide

4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide (PubChem CID 115150628) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
PubChem CID115150628
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)NC2CCN(C)C2)CC1
InChIInChI=1S/C13H25N3O/c1-14-11-5-3-10(4-6-11)13(17)15-12-7-8-16(2)9-12/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyHZMKBFYSOBTABV-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 115277550
N-(1-methylpyrrolidin-3-yl)piperidine-4-carboxamide
CID 61465348
3-amino-N-(1-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 66007963
4-hydroxy-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 115150764
4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 115151158
trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 131019581
4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 115150990
ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide
CID 169257856
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
CID 18722887
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide (CID 115150628) is 4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide is CNC1CCC(C(=O)NC2CCN(C)C2)CC1.
What is the InChIKey of 4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is HZMKBFYSOBTABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14-11-5-3-10(4-6-11)13(17)15-12-7-8-16(2)9-12/h10-12,14H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115150628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).