1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea

C11H24N2O — CID 159273198

IUPAC1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea
SMILESCC(C)CCN(C)C(=O)N(C)C(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)7-8-12(5)11(14)13(6)10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyYFHZBEYDFMSHAK-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.42
Rot. Bonds4

About 1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea

1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea (PubChem CID 159273198) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea
PubChem CID159273198
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea
SMILESCC(C)CCN(C)C(=O)N(C)C(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)7-8-12(5)11(14)13(6)10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyYFHZBEYDFMSHAK-UHFFFAOYSA-N
XLogP2.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 54984189
3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide
CID 62728337
3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
CID 61429269
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid
CID 115164617
2-[[methyl(3-methylbutyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276789
1,1-diethyl-3-methyl-3-propan-2-ylurea
CID 89002923
2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800
1-methyl-1-(3-methylbutyl)thiourea
CID 61428905
2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61327306
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
N,8-dimethyl-N-propan-2-ylnonanamide
CID 170241265

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea?
The IUPAC name of 1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea (CID 159273198) is 1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea.
What is the SMILES notation for 1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea?
The canonical SMILES for 1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea is CC(C)CCN(C)C(=O)N(C)C(C)C.
What is the InChIKey of 1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea?
The InChIKey is YFHZBEYDFMSHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)7-8-12(5)11(14)13(6)10(3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea?
1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea has a molecular weight of 200.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea is sourced from PubChem (CID 159273198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).