1-(4-methylcycloheptyl)-3-propylurea

C12H24N2O — CID 102795126

IUPAC1-(4-methylcycloheptyl)-3-propylurea
SMILESCCCNC(=O)NC1CCCC(C)CC1
InChIInChI=1S/C12H24N2O/c1-3-9-13-12(15)14-11-6-4-5-10(2)7-8-11/h10-11H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyMVVACXVVYWWOJS-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-methylcycloheptyl)-3-propylurea

1-(4-methylcycloheptyl)-3-propylurea (PubChem CID 102795126) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(4-methylcycloheptyl)-3-propylurea.

Molecular Properties

Compound Name1-(4-methylcycloheptyl)-3-propylurea
PubChem CID102795126
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(4-methylcycloheptyl)-3-propylurea
SMILESCCCNC(=O)NC1CCCC(C)CC1
InChIInChI=1S/C12H24N2O/c1-3-9-13-12(15)14-11-6-4-5-10(2)7-8-11/h10-11H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyMVVACXVVYWWOJS-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-propylurea
CID 14343339
1-cyclobutyl-3-(4-methylcyclohexyl)urea
CID 103653458
(2S)-2-hydroxy-4-[(4-methylcycloheptyl)carbamoylamino]butanoic acid
CID 114101260
1-(4,4-dimethylcyclohexyl)-3-propylurea
CID 115660888
1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 131076439
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
2-hydroxy-4-[(4-methylcyclohexyl)carbamoylamino]butanoic acid
CID 107838097
2-(cyclohexylcarbamoylamino)-N-propylpropanamide
CID 47112302
1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one
CID 142100841
N-cyclopropyl-2-(propylcarbamoylamino)acetamide
CID 84514772
3-(cyclobutylcarbamoylamino)-N-methylpropanamide
CID 115617988
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcycloheptyl)-3-propylurea?
The IUPAC name of 1-(4-methylcycloheptyl)-3-propylurea (CID 102795126) is 1-(4-methylcycloheptyl)-3-propylurea.
What is the SMILES notation for 1-(4-methylcycloheptyl)-3-propylurea?
The canonical SMILES for 1-(4-methylcycloheptyl)-3-propylurea is CCCNC(=O)NC1CCCC(C)CC1.
What is the InChIKey of 1-(4-methylcycloheptyl)-3-propylurea?
The InChIKey is MVVACXVVYWWOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-9-13-12(15)14-11-6-4-5-10(2)7-8-11/h10-11H,3-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(4-methylcycloheptyl)-3-propylurea?
1-(4-methylcycloheptyl)-3-propylurea has a molecular weight of 212.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcycloheptyl)-3-propylurea is sourced from PubChem (CID 102795126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).