N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide

C15H29N3O — CID 116816962

IUPACN-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide
SMILESCNC1CCC(NC(=O)CCC2CCN(C)C2)CC1
InChIInChI=1S/C15H29N3O/c1-16-13-4-6-14(7-5-13)17-15(19)8-3-12-9-10-18(2)11-12/h12-14,16H,3-11H2,1-2H3,(H,17,19)
InChIKeySEENWVWVRAAUBR-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.37
Rot. Bonds5

About N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide

N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide (PubChem CID 116816962) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide
PubChem CID116816962
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide
SMILESCNC1CCC(NC(=O)CCC2CCN(C)C2)CC1
InChIInChI=1S/C15H29N3O/c1-16-13-4-6-14(7-5-13)17-15(19)8-3-12-9-10-18(2)11-12/h12-14,16H,3-11H2,1-2H3,(H,17,19)
InChIKeySEENWVWVRAAUBR-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653177
N-cyclopropyl-3-(1-propylpiperidin-4-yl)propanamide
CID 42156904
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
N-cyclopropyl-2-(1-methylpiperidin-3-yl)acetamide
CID 110848024
N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115271090
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
N-(4-methylcyclohexyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 149102304
4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79192658
N-(1-methylpiperidin-3-yl)-3-piperidin-4-ylpropanamide
CID 62209904
N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide
CID 116817146
N,N'-dicyclopropylbutanediamide
CID 5225156

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide?
The IUPAC name of N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide (CID 116816962) is N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide?
The canonical SMILES for N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide is CNC1CCC(NC(=O)CCC2CCN(C)C2)CC1.
What is the InChIKey of N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide?
The InChIKey is SEENWVWVRAAUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-16-13-4-6-14(7-5-13)17-15(19)8-3-12-9-10-18(2)11-12/h12-14,16H,3-11H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide?
N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide has a molecular weight of 267.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 116816962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).