1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea

C12H24N2O — CID 107417748

IUPAC1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
SMILESCC1CCCC1CNC(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9-6-5-7-10(9)8-13-11(15)14-12(2,3)4/h9-10H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyQMSUWVCDZDDQJY-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.52
Rot. Bonds2

About 1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea

1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea (PubChem CID 107417748) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
PubChem CID107417748
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
SMILESCC1CCCC1CNC(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9-6-5-7-10(9)8-13-11(15)14-12(2,3)4/h9-10H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyQMSUWVCDZDDQJY-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 79801680
(2-methylcyclopentyl)methylurea
CID 107417745
2-methoxy-2-methyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107420812
3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417691
2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
CID 107420081
4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid
CID 107474794
N-tert-butyl-2-[[N'-methyl-N-[(2-methylcyclohexyl)methyl]carbamimidoyl]amino]acetamide
CID 111383343
2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid
CID 107416703
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111505319
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111438461

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea?
The IUPAC name of 1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea (CID 107417748) is 1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea is CC1CCCC1CNC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea?
The InChIKey is QMSUWVCDZDDQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-6-5-7-10(9)8-13-11(15)14-12(2,3)4/h9-10H,5-8H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea?
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea has a molecular weight of 212.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea is sourced from PubChem (CID 107417748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).