1-(2-methylpropyl)-3-prop-2-ynylurea

C8H14N2O — CID 130662493

IUPAC1-(2-methylpropyl)-3-prop-2-ynylurea
SMILESC#CCNC(=O)NCC(C)C
InChIInChI=1S/C8H14N2O/c1-4-5-9-8(11)10-6-7(2)3/h1,7H,5-6H2,2-3H3,(H2,9,10,11)
InChIKeyUMHKZFRBTSQBCH-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.57
Rot. Bonds3

About 1-(2-methylpropyl)-3-prop-2-ynylurea

1-(2-methylpropyl)-3-prop-2-ynylurea (PubChem CID 130662493) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-prop-2-ynylurea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-prop-2-ynylurea
PubChem CID130662493
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(2-methylpropyl)-3-prop-2-ynylurea
SMILESC#CCNC(=O)NCC(C)C
InChIInChI=1S/C8H14N2O/c1-4-5-9-8(11)10-6-7(2)3/h1,7H,5-6H2,2-3H3,(H2,9,10,11)
InChIKeyUMHKZFRBTSQBCH-UHFFFAOYSA-N
XLogP0.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethyl)-3-prop-2-ynylurea
CID 126992022
1-propan-2-yl-3-prop-2-ynylurea
CID 14344955
2-[(prop-2-ynylcarbamoylamino)methyl]butanoic acid
CID 65217556
1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea
CID 163779477
1-[(2R)-2-ethylhexyl]-3-prop-2-ynylurea
CID 97027505
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
1-prop-2-ynyl-3-[6-(prop-2-ynylcarbamoylamino)hexyl]urea
CID 3089827
2-methyl-N-prop-2-ynylpentanamide
CID 60707067
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide
CID 111093384
1-(methoxymethyl)-3-(2-methylpropyl)urea
CID 110675890
1-(2-methylpropyl)-3-(2-oxoethyl)urea
CID 117235660
1-(2-chloroethyl)-3-(2-methylpropyl)urea
CID 13254213

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-prop-2-ynylurea?
The IUPAC name of 1-(2-methylpropyl)-3-prop-2-ynylurea (CID 130662493) is 1-(2-methylpropyl)-3-prop-2-ynylurea.
What is the SMILES notation for 1-(2-methylpropyl)-3-prop-2-ynylurea?
The canonical SMILES for 1-(2-methylpropyl)-3-prop-2-ynylurea is C#CCNC(=O)NCC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-3-prop-2-ynylurea?
The InChIKey is UMHKZFRBTSQBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-5-9-8(11)10-6-7(2)3/h1,7H,5-6H2,2-3H3,(H2,9,10,11).
What are the key properties of 1-(2-methylpropyl)-3-prop-2-ynylurea?
1-(2-methylpropyl)-3-prop-2-ynylurea has a molecular weight of 154.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-prop-2-ynylurea is sourced from PubChem (CID 130662493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).