1-(cyclohexylmethyl)-1-methyl-3-propylurea

C12H24N2O — CID 115583089

IUPAC1-(cyclohexylmethyl)-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)CC1CCCCC1
InChIInChI=1S/C12H24N2O/c1-3-9-13-12(15)14(2)10-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyIMILYMLAARUFIF-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.62
Rot. Bonds4

About 1-(cyclohexylmethyl)-1-methyl-3-propylurea

1-(cyclohexylmethyl)-1-methyl-3-propylurea (PubChem CID 115583089) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-1-methyl-3-propylurea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-1-methyl-3-propylurea
PubChem CID115583089
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(cyclohexylmethyl)-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)CC1CCCCC1
InChIInChI=1S/C12H24N2O/c1-3-9-13-12(15)14(2)10-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyIMILYMLAARUFIF-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-1-(oxan-4-ylmethyl)-3-propylurea
CID 110752121
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
(2S)-4-[[cyclopentylmethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839972
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
1-cyclohexyl-1-cyclopropyl-3-propylurea
CID 110874883
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea
CID 99786912
1-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-propylurea
CID 25448302
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
3-butyl-1-methyl-1-(oxan-2-ylmethyl)urea
CID 115589808

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-1-methyl-3-propylurea?
The IUPAC name of 1-(cyclohexylmethyl)-1-methyl-3-propylurea (CID 115583089) is 1-(cyclohexylmethyl)-1-methyl-3-propylurea.
What is the SMILES notation for 1-(cyclohexylmethyl)-1-methyl-3-propylurea?
The canonical SMILES for 1-(cyclohexylmethyl)-1-methyl-3-propylurea is CCCNC(=O)N(C)CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-1-methyl-3-propylurea?
The InChIKey is IMILYMLAARUFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-9-13-12(15)14(2)10-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 1-(cyclohexylmethyl)-1-methyl-3-propylurea?
1-(cyclohexylmethyl)-1-methyl-3-propylurea has a molecular weight of 212.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-1-methyl-3-propylurea is sourced from PubChem (CID 115583089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).