[3-(butylamino)-2,2-dimethylpropyl]urea

C10H23N3O — CID 22381207

IUPAC[3-(butylamino)-2,2-dimethylpropyl]urea
SMILESCCCCNCC(C)(C)CNC(N)=O
InChIInChI=1S/C10H23N3O/c1-4-5-6-12-7-10(2,3)8-13-9(11)14/h12H,4-8H2,1-3H3,(H3,11,13,14)
InChIKeyIHSKUQSKMCEEEA-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.07
Rot. Bonds7

About [3-(butylamino)-2,2-dimethylpropyl]urea

[3-(butylamino)-2,2-dimethylpropyl]urea (PubChem CID 22381207) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is [3-(butylamino)-2,2-dimethylpropyl]urea.

Molecular Properties

Compound Name[3-(butylamino)-2,2-dimethylpropyl]urea
PubChem CID22381207
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name[3-(butylamino)-2,2-dimethylpropyl]urea
SMILESCCCCNCC(C)(C)CNC(N)=O
InChIInChI=1S/C10H23N3O/c1-4-5-6-12-7-10(2,3)8-13-9(11)14/h12H,4-8H2,1-3H3,(H3,11,13,14)
InChIKeyIHSKUQSKMCEEEA-UHFFFAOYSA-N
XLogP1.07
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(butylamino)-2,2-dimethylpropyl] carbamate
CID 87971522
acetamide;N-butylbutan-1-amine
CID 172792447
butylurea;silicic acid
CID 86735760
[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl] N-ethylcarbamate
CID 87800600
1-butyl-3-[2,2-dimethyl-3-(methylamino)propyl]urea
CID 22381505
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
pentylurea;hydrate
CID 172845599
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine
CID 115363470
5-[(3-hydroxy-2,2-dimethylpropyl)amino]pentanamide
CID 106233905
N-butylbutan-1-amine;1,1-diaminourea
CID 174864896

Frequently Asked Questions

What is the IUPAC name of [3-(butylamino)-2,2-dimethylpropyl]urea?
The IUPAC name of [3-(butylamino)-2,2-dimethylpropyl]urea (CID 22381207) is [3-(butylamino)-2,2-dimethylpropyl]urea.
What is the SMILES notation for [3-(butylamino)-2,2-dimethylpropyl]urea?
The canonical SMILES for [3-(butylamino)-2,2-dimethylpropyl]urea is CCCCNCC(C)(C)CNC(N)=O.
What is the InChIKey of [3-(butylamino)-2,2-dimethylpropyl]urea?
The InChIKey is IHSKUQSKMCEEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-4-5-6-12-7-10(2,3)8-13-9(11)14/h12H,4-8H2,1-3H3,(H3,11,13,14).
What are the key properties of [3-(butylamino)-2,2-dimethylpropyl]urea?
[3-(butylamino)-2,2-dimethylpropyl]urea has a molecular weight of 201.31 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(butylamino)-2,2-dimethylpropyl]urea is sourced from PubChem (CID 22381207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).