1-butyl-3-(cyclopentylmethyl)-1-methylurea

C12H24N2O — CID 108902611

IUPAC1-butyl-3-(cyclopentylmethyl)-1-methylurea
SMILESCCCCN(C)C(=O)NCC1CCCC1
InChIInChI=1S/C12H24N2O/c1-3-4-9-14(2)12(15)13-10-11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyVEQRWZSYLLSFFP-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.62
Rot. Bonds5

About 1-butyl-3-(cyclopentylmethyl)-1-methylurea

1-butyl-3-(cyclopentylmethyl)-1-methylurea (PubChem CID 108902611) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-butyl-3-(cyclopentylmethyl)-1-methylurea.

Molecular Properties

Compound Name1-butyl-3-(cyclopentylmethyl)-1-methylurea
PubChem CID108902611
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-butyl-3-(cyclopentylmethyl)-1-methylurea
SMILESCCCCN(C)C(=O)NCC1CCCC1
InChIInChI=1S/C12H24N2O/c1-3-4-9-14(2)12(15)13-10-11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyVEQRWZSYLLSFFP-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-butyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-methylurea
CID 110706112
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
2-[[butyl(methyl)carbamoyl]amino]acetic acid
CID 28507820
1-butyl-3-(cyanomethyl)-1-methylurea
CID 108864807
1-(cyclohexylmethyl)-1-methyl-3-propylurea
CID 115583089
N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine
CID 63503881
3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea
CID 86940440
N-(cyclohexylmethyl)-2-(dipropylamino)acetamide
CID 55437784
2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 62820411
3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea
CID 115590479

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(cyclopentylmethyl)-1-methylurea?
The IUPAC name of 1-butyl-3-(cyclopentylmethyl)-1-methylurea (CID 108902611) is 1-butyl-3-(cyclopentylmethyl)-1-methylurea.
What is the SMILES notation for 1-butyl-3-(cyclopentylmethyl)-1-methylurea?
The canonical SMILES for 1-butyl-3-(cyclopentylmethyl)-1-methylurea is CCCCN(C)C(=O)NCC1CCCC1.
What is the InChIKey of 1-butyl-3-(cyclopentylmethyl)-1-methylurea?
The InChIKey is VEQRWZSYLLSFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-4-9-14(2)12(15)13-10-11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 1-butyl-3-(cyclopentylmethyl)-1-methylurea?
1-butyl-3-(cyclopentylmethyl)-1-methylurea has a molecular weight of 212.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(cyclopentylmethyl)-1-methylurea is sourced from PubChem (CID 108902611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).