1-(2-amino-2-methylpropyl)-3-propan-2-ylurea

C8H19N3O — CID 115303393

IUPAC1-(2-amino-2-methylpropyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(C)(C)N
InChIInChI=1S/C8H19N3O/c1-6(2)11-7(12)10-5-8(3,4)9/h6H,5,9H2,1-4H3,(H2,10,11,12)
InChIKeyCSDAGVUGOJAZAR-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.43
Rot. Bonds3

About 1-(2-amino-2-methylpropyl)-3-propan-2-ylurea

1-(2-amino-2-methylpropyl)-3-propan-2-ylurea (PubChem CID 115303393) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)-3-propan-2-ylurea
PubChem CID115303393
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1-(2-amino-2-methylpropyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(C)(C)N
InChIInChI=1S/C8H19N3O/c1-6(2)11-7(12)10-5-8(3,4)9/h6H,5,9H2,1-4H3,(H2,10,11,12)
InChIKeyCSDAGVUGOJAZAR-UHFFFAOYSA-N
XLogP0.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea
CID 90501184
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659
1-(2-aminoethyl)-3-propan-2-ylurea
CID 13030915
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea
CID 116657505
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea
CID 47307554
2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid
CID 113407992
(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
CID 78971835
1-(2,2-difluoroethyl)-3-propan-2-ylurea
CID 87414397
1-propan-2-yl-3-prop-2-ynylurea
CID 14344955
2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid
CID 131207029
1-but-2-ynyl-3-propan-2-ylurea
CID 115865637

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-amino-2-methylpropyl)-3-propan-2-ylurea (CID 115303393) is 1-(2-amino-2-methylpropyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-amino-2-methylpropyl)-3-propan-2-ylurea is CC(C)NC(=O)NCC(C)(C)N.
What is the InChIKey of 1-(2-amino-2-methylpropyl)-3-propan-2-ylurea?
The InChIKey is CSDAGVUGOJAZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-6(2)11-7(12)10-5-8(3,4)9/h6H,5,9H2,1-4H3,(H2,10,11,12).
What are the key properties of 1-(2-amino-2-methylpropyl)-3-propan-2-ylurea?
1-(2-amino-2-methylpropyl)-3-propan-2-ylurea has a molecular weight of 173.26 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)-3-propan-2-ylurea is sourced from PubChem (CID 115303393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).