2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide

C15H29N3O — CID 62781980

IUPAC2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide
SMILESCCN1CCCC1CNC(=O)C1C(C)CCCC1N
InChIInChI=1S/C15H29N3O/c1-3-18-9-5-7-12(18)10-17-15(19)14-11(2)6-4-8-13(14)16/h11-14H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyAGLGPGNJHRFIMS-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.35
Rot. Bonds4

About 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide

2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide (PubChem CID 62781980) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide
PubChem CID62781980
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide
SMILESCCN1CCCC1CNC(=O)C1C(C)CCCC1N
InChIInChI=1S/C15H29N3O/c1-3-18-9-5-7-12(18)10-17-15(19)14-11(2)6-4-8-13(14)16/h11-14H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyAGLGPGNJHRFIMS-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
(2R)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103813237
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 18072841
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 79383628
4-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511391
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124831536
(3S)-1-(cyclopropanecarbonyl)-N-[[(2S)-1-ethylpiperidin-2-yl]methyl]piperidine-3-carboxamide
CID 124831833
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide
CID 79797670
(2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081585
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816503

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide (CID 62781980) is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide is CCN1CCCC1CNC(=O)C1C(C)CCCC1N.
What is the InChIKey of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide?
The InChIKey is AGLGPGNJHRFIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-18-9-5-7-12(18)10-17-15(19)14-11(2)6-4-8-13(14)16/h11-14H,3-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide?
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62781980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).