trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide

C15H29N3O — CID 124671626

IUPACtrans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide
SMILESCCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[C@@H](N)C1
InChIInChI=1S/C15H29N3O/c1-3-18-9-5-8-14(18)11-17(2)15(19)12-6-4-7-13(16)10-12/h12-14H,3-11,16H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyGPAZVHSRZKTBAT-MGPQQGTHSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds4

About trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide

trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 124671626) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID124671626
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Nametrans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide
SMILESCCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[C@@H](N)C1
InChIInChI=1S/C15H29N3O/c1-3-18-9-5-8-14(18)11-17(2)15(19)12-6-4-7-13(16)10-12/h12-14H,3-11,16H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyGPAZVHSRZKTBAT-MGPQQGTHSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide with MolForge

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Related Compounds

Brivaracetam
CID 9837243
(2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 23646031
Chg-Pro-CN
CID 11075394
1-(2-Amino-2-cyclohexylacetyl)pyrrolidine-2-carbonitrile
CID 22387295
Chg-boroPro
CID 57689732
(S)-2-amino-2-cyclohexyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 9838664
(2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
CID 10220206
(S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidin-1-yl)-ethanone
CID 44458594
(S)-2-Amino-2-cyclohexyl-1-((R)-3-fluoro-pyrrolidin-1-yl)-ethanone
CID 44458603
(S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-pyrrolidin-1-yl)-ethanone
CID 44458617
rac-Brivaracetam
CID 9834332
(1S)-2-[(2S,5R)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
CID 11840904

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide (CID 124671626) is trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide is CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[C@@H](N)C1.
What is the InChIKey of trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is GPAZVHSRZKTBAT-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-18-9-5-8-14(18)11-17(2)15(19)12-6-4-7-13(16)10-12/h12-14H,3-11,16H2,1-2H3/t12-,13-,14-/m1/s1.
What are the key properties of trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide?
trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 124671626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).