1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea

C12H25N3O — CID 140552228

IUPAC1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea
SMILESCNC[C@H](CC1CCCCC1)N(C)C(N)=O
InChIInChI=1S/C12H25N3O/c1-14-9-11(15(2)12(13)16)8-10-6-4-3-5-7-10/h10-11,14H,3-9H2,1-2H3,(H2,13,16)/t11-/m0/s1
InChIKeyODEQZKGDAKEGLI-NSHDSACASA-N
MW227.35 g/mol
LogP1.56
Rot. Bonds5

About 1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea

1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea (PubChem CID 140552228) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea.

Molecular Properties

Compound Name1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea
PubChem CID140552228
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea
SMILESCNC[C@H](CC1CCCCC1)N(C)C(N)=O
InChIInChI=1S/C12H25N3O/c1-14-9-11(15(2)12(13)16)8-10-6-4-3-5-7-10/h10-11,14H,3-9H2,1-2H3,(H2,13,16)/t11-/m0/s1
InChIKeyODEQZKGDAKEGLI-NSHDSACASA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid
CID 69468804
1,3-dicyclopentyl-N,N-dimethylpropan-2-amine
CID 58122659
2-amino-3-cyclohexyl-N,N-dimethylpropanamide
CID 83618462
3-cyclopentyl-N,2-dimethylpropan-1-amine
CID 62530877
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
3-cyclopentyl-2-methoxy-N-methylpropan-1-amine
CID 105434938
(2R)-3-cyclopentyl-2-fluoro-N-methylpropan-1-amine
CID 129462680
tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate
CID 68715214
tert-butyl N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamate
CID 59382980
2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine
CID 62529539
3-amino-4-cyclohexylbutan-2-one
CID 20668322
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea?
The IUPAC name of 1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea (CID 140552228) is 1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea.
What is the SMILES notation for 1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea?
The canonical SMILES for 1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea is CNC[C@H](CC1CCCCC1)N(C)C(N)=O.
What is the InChIKey of 1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea?
The InChIKey is ODEQZKGDAKEGLI-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-9-11(15(2)12(13)16)8-10-6-4-3-5-7-10/h10-11,14H,3-9H2,1-2H3,(H2,13,16)/t11-/m0/s1.
What are the key properties of 1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea?
1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea has a molecular weight of 227.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea is sourced from PubChem (CID 140552228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).