1-(4-amino-1-methylcyclohexyl)-3-propylurea

C11H23N3O — CID 165468938

IUPAC1-(4-amino-1-methylcyclohexyl)-3-propylurea
SMILESCCCNC(=O)NC1(C)CCC(N)CC1
InChIInChI=1S/C11H23N3O/c1-3-8-13-10(15)14-11(2)6-4-9(12)5-7-11/h9H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyGVCMZIWSKYYZOA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.36
Rot. Bonds3

About 1-(4-amino-1-methylcyclohexyl)-3-propylurea

1-(4-amino-1-methylcyclohexyl)-3-propylurea (PubChem CID 165468938) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(4-amino-1-methylcyclohexyl)-3-propylurea.

Molecular Properties

Compound Name1-(4-amino-1-methylcyclohexyl)-3-propylurea
PubChem CID165468938
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(4-amino-1-methylcyclohexyl)-3-propylurea
SMILESCCCNC(=O)NC1(C)CCC(N)CC1
InChIInChI=1S/C11H23N3O/c1-3-8-13-10(15)14-11(2)6-4-9(12)5-7-11/h9H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyGVCMZIWSKYYZOA-UHFFFAOYSA-N
XLogP1.36
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethylcyclohexyl)-3-propylurea
CID 115660888
1-[(1-amino-4-ethylcyclohexyl)methyl]-3-propylurea
CID 165484829
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768
1-(2-cyclobutylethyl)-3-propylurea
CID 115686559
1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea
CID 65121622
1-(1-cyanocyclopentyl)-3-propylurea
CID 60650300
4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid
CID 64686457
1-(2-aminocycloheptyl)-3-propylurea
CID 63258563
1-(1-cyanocycloheptyl)-3-propylurea
CID 61124420
1-(4-aminocyclohexyl)-1,3-dipropylurea
CID 79111587
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea
CID 110359336
1-cyclopentyloxy-3-propylurea
CID 110666992

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methylcyclohexyl)-3-propylurea?
The IUPAC name of 1-(4-amino-1-methylcyclohexyl)-3-propylurea (CID 165468938) is 1-(4-amino-1-methylcyclohexyl)-3-propylurea.
What is the SMILES notation for 1-(4-amino-1-methylcyclohexyl)-3-propylurea?
The canonical SMILES for 1-(4-amino-1-methylcyclohexyl)-3-propylurea is CCCNC(=O)NC1(C)CCC(N)CC1.
What is the InChIKey of 1-(4-amino-1-methylcyclohexyl)-3-propylurea?
The InChIKey is GVCMZIWSKYYZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-8-13-10(15)14-11(2)6-4-9(12)5-7-11/h9H,3-8,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(4-amino-1-methylcyclohexyl)-3-propylurea?
1-(4-amino-1-methylcyclohexyl)-3-propylurea has a molecular weight of 213.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methylcyclohexyl)-3-propylurea is sourced from PubChem (CID 165468938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).