1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea

C11H25N3O — CID 110622595

IUPAC1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C11H25N3O/c1-9(2)7-12-10(15)13-8-11(3,4)14(5)6/h9H,7-8H2,1-6H3,(H2,12,13,15)
InChIKeyFQHWMZQUQHOBRP-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.28
Rot. Bonds5

About 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea

1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea (PubChem CID 110622595) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea
PubChem CID110622595
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C11H25N3O/c1-9(2)7-12-10(15)13-8-11(3,4)14(5)6/h9H,7-8H2,1-6H3,(H2,12,13,15)
InChIKeyFQHWMZQUQHOBRP-UHFFFAOYSA-N
XLogP1.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 61249640
N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide
CID 107026862
N-[2-(dimethylamino)-2-methylpropyl]-2,2-difluoroacetamide
CID 103600685
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
CID 61250015
4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496799
1-cyclopropyl-3-[2-(dimethylamino)-2-methylpropyl]urea
CID 110303291
2-cyclopentyl-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 110353510
1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea
CID 163779477
1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea
CID 113214142
1-[(3,3-dimethylbutanoylamino)-methylamino]-3-(2-methylpropyl)urea
CID 167068491
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116664589
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119830610

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea (CID 110622595) is 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)NCC(C)(C)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea?
The InChIKey is FQHWMZQUQHOBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-9(2)7-12-10(15)13-8-11(3,4)14(5)6/h9H,7-8H2,1-6H3,(H2,12,13,15).
What are the key properties of 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea?
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea has a molecular weight of 215.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 110622595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).