3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide

C16H31N3O — CID 62808028

IUPAC3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(CN1CCCC1)NC(=O)C1CCCC(CCN)C1
InChIInChI=1S/C16H31N3O/c1-13(12-19-9-2-3-10-19)18-16(20)15-6-4-5-14(11-15)7-8-17/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyYBNRUFOBRUNSJD-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.74
Rot. Bonds6

About 3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide

3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide (PubChem CID 62808028) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
PubChem CID62808028
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(CN1CCCC1)NC(=O)C1CCCC(CCN)C1
InChIInChI=1S/C16H31N3O/c1-13(12-19-9-2-3-10-19)18-16(20)15-6-4-5-14(11-15)7-8-17/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyYBNRUFOBRUNSJD-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992458
3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782980
3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62808704
3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 62807667
3-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992278
3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide
CID 62807128
N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 54954138
1-(cyclopropanecarbonyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 171675755
3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62783102
3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106098538
3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 62808717
[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55115174

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide (CID 62808028) is 3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide is CC(CN1CCCC1)NC(=O)C1CCCC(CCN)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is YBNRUFOBRUNSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(12-19-9-2-3-10-19)18-16(20)15-6-4-5-14(11-15)7-8-17/h13-15H,2-12,17H2,1H3,(H,18,20).
What are the key properties of 3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide?
3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62808028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).