trans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide

C12H24N2O — CID 168834989

IUPACtrans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCC[C@H]1NC(C)C
InChIInChI=1S/C12H24N2O/c1-8(2)13-11-7-5-6-10(11)12(15)14-9(3)4/h8-11,13H,5-7H2,1-4H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyMPGAFLKZWLFENV-GHMZBOCLSA-N
MW212.34 g/mol
LogP1.68
Rot. Bonds4

About trans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide

trans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 168834989) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is trans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID168834989
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Nametrans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCC[C@H]1NC(C)C
InChIInChI=1S/C12H24N2O/c1-8(2)13-11-7-5-6-10(11)12(15)14-9(3)4/h8-11,13H,5-7H2,1-4H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyMPGAFLKZWLFENV-GHMZBOCLSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-[[(1R)-1-phenylethyl]amino]-N-propan-2-ylcyclopentane-1-carboxamide
CID 143582335
cis-(1S,2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143706762
ethane;(1R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143679818
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
2-methylsulfanyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 130637655
cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6927821
tert-butyl N-[(1R,2S)-2-(propan-2-ylcarbamoyl)cycloheptyl]carbamate
CID 95975128
2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
CID 119668927
methyl N-[(2S)-3-methyl-1-oxo-1-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclohexyl]amino]butan-2-yl]carbamate
CID 58185325
(2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 97050937
cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 171756340

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 168834989) is trans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide is CC(C)NC(=O)[C@@H]1CCC[C@H]1NC(C)C.
What is the InChIKey of trans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is MPGAFLKZWLFENV-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24N2O/c1-8(2)13-11-7-5-6-10(11)12(15)14-9(3)4/h8-11,13H,5-7H2,1-4H3,(H,14,15)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide?
trans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 168834989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).