3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea

C12H23N3O — CID 60805183

IUPAC3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea
SMILESCN(C(=O)NC1CCCCC1)C1CCNC1
InChIInChI=1S/C12H23N3O/c1-15(11-7-8-13-9-11)12(16)14-10-5-3-2-4-6-10/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyYUKUPCWOVRCPEO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.32
Rot. Bonds2

About 3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea

3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea (PubChem CID 60805183) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea
PubChem CID60805183
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea
SMILESCN(C(=O)NC1CCCCC1)C1CCNC1
InChIInChI=1S/C12H23N3O/c1-15(11-7-8-13-9-11)12(16)14-10-5-3-2-4-6-10/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyYUKUPCWOVRCPEO-UHFFFAOYSA-N
XLogP1.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-4-yl)-3-cyclohexyl-1-methylurea
CID 107172653
N-cyclohexyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922828
1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea
CID 79121066
3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea
CID 79120718
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119552192
2-cyclohexyl-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260670
N-cyclohexyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63644075
3-cyclohexyl-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47108060
1-(4-cyanocyclohexyl)-3-cyclohexyl-1-methylurea
CID 115270228
N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea (CID 60805183) is 3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea is CN(C(=O)NC1CCCCC1)C1CCNC1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea?
The InChIKey is YUKUPCWOVRCPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-15(11-7-8-13-9-11)12(16)14-10-5-3-2-4-6-10/h10-11,13H,2-9H2,1H3,(H,14,16).
What are the key properties of 3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea?
3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea has a molecular weight of 225.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea is sourced from PubChem (CID 60805183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).