1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea

C11H23N3O — CID 107158915

IUPAC1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea
SMILESCC(C)(C)CC(N)CNC(=O)NC1CC1
InChIInChI=1S/C11H23N3O/c1-11(2,3)6-8(12)7-13-10(15)14-9-4-5-9/h8-9H,4-7,12H2,1-3H3,(H2,13,14,15)
InChIKeyIERDKFDDZXGBGD-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.21
Rot. Bonds4

About 1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea

1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea (PubChem CID 107158915) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea
PubChem CID107158915
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea
SMILESCC(C)(C)CC(N)CNC(=O)NC1CC1
InChIInChI=1S/C11H23N3O/c1-11(2,3)6-8(12)7-13-10(15)14-9-4-5-9/h8-9H,4-7,12H2,1-3H3,(H2,13,14,15)
InChIKeyIERDKFDDZXGBGD-UHFFFAOYSA-N
XLogP1.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473872
2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473950
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 107158412
1-cyclopropyl-3-(3,3-dimethylbutyl)urea
CID 115580158
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide
CID 107158348
1-cyclopropyl-3-(4,4-dimethylpentyl)urea
CID 110617831
N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide
CID 107158894
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
CID 107158914
(2S)-2-amino-3-(oxan-4-ylcarbamoylamino)propanoic acid
CID 67154203

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea?
The IUPAC name of 1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea (CID 107158915) is 1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea?
The canonical SMILES for 1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea is CC(C)(C)CC(N)CNC(=O)NC1CC1.
What is the InChIKey of 1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea?
The InChIKey is IERDKFDDZXGBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)6-8(12)7-13-10(15)14-9-4-5-9/h8-9H,4-7,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea?
1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea has a molecular weight of 213.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea is sourced from PubChem (CID 107158915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).