3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide

C17H33N3O — CID 62992458

IUPAC3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESCC(CNC(=O)C1CCCC(CCN)C1)CN1CCCC1
InChIInChI=1S/C17H33N3O/c1-14(13-20-9-2-3-10-20)12-19-17(21)16-6-4-5-15(11-16)7-8-18/h14-16H,2-13,18H2,1H3,(H,19,21)
InChIKeyLVRPARWAPWMAFR-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.99
Rot. Bonds7

About 3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide

3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 62992458) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
PubChem CID62992458
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESCC(CNC(=O)C1CCCC(CCN)C1)CN1CCCC1
InChIInChI=1S/C17H33N3O/c1-14(13-20-9-2-3-10-20)12-19-17(21)16-6-4-5-15(11-16)7-8-18/h14-16H,2-13,18H2,1H3,(H,19,21)
InChIKeyLVRPARWAPWMAFR-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992278
3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62808028
4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992457
3-amino-N-(2-methyl-3-morpholin-4-ylpropyl)cyclopentane-1-carboxamide
CID 119869000
3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 62808717
3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 62806950
1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 128945509
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 86823889
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 63005234
2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 65456059
3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62808704

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide (CID 62992458) is 3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide is CC(CNC(=O)C1CCCC(CCN)C1)CN1CCCC1.
What is the InChIKey of 3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is LVRPARWAPWMAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14(13-20-9-2-3-10-20)12-19-17(21)16-6-4-5-15(11-16)7-8-18/h14-16H,2-13,18H2,1H3,(H,19,21).
What are the key properties of 3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62992458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).