1-(1-aminoethenyl)-3-(2-methylpropyl)urea

C7H15N3O — CID 18721993

IUPAC1-(1-aminoethenyl)-3-(2-methylpropyl)urea
SMILESC=C(N)NC(=O)NCC(C)C
InChIInChI=1S/C7H15N3O/c1-5(2)4-9-7(11)10-6(3)8/h5H,3-4,8H2,1-2H3,(H2,9,10,11)
InChIKeyZNBDDKDHNYNPQG-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.37
Rot. Bonds3

About 1-(1-aminoethenyl)-3-(2-methylpropyl)urea

1-(1-aminoethenyl)-3-(2-methylpropyl)urea (PubChem CID 18721993) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-(1-aminoethenyl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(1-aminoethenyl)-3-(2-methylpropyl)urea
PubChem CID18721993
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-(1-aminoethenyl)-3-(2-methylpropyl)urea
SMILESC=C(N)NC(=O)NCC(C)C
InChIInChI=1S/C7H15N3O/c1-5(2)4-9-7(11)10-6(3)8/h5H,3-4,8H2,1-2H3,(H2,9,10,11)
InChIKeyZNBDDKDHNYNPQG-UHFFFAOYSA-N
XLogP0.37
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
N-(2-methylpropylcarbamoyl)cyclopropanecarboxamide
CID 110865956
1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea
CID 163779477
4-amino-N-(2-methylpropylcarbamoyl)benzamide
CID 108867331
hydron;1-(2-methylpropyl)-3-prop-2-enylurea
CID 174433469
1-(3-aminopropyl)-3-(2-methylpropyl)urea
CID 117235685
2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63645647
1-(methoxymethyl)-3-(2-methylpropyl)urea
CID 110675890
1-(2-methylpropyl)-3-prop-2-ynylurea
CID 130662493
1-(2-methylpropyl)-3-(2-oxoethyl)urea
CID 117235660
1-(diaminomethylidene)-3-(2-methylpropyl)urea
CID 18722015
1-(2-chloroethyl)-3-(2-methylpropyl)urea
CID 13254213

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethenyl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(1-aminoethenyl)-3-(2-methylpropyl)urea (CID 18721993) is 1-(1-aminoethenyl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(1-aminoethenyl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(1-aminoethenyl)-3-(2-methylpropyl)urea is C=C(N)NC(=O)NCC(C)C.
What is the InChIKey of 1-(1-aminoethenyl)-3-(2-methylpropyl)urea?
The InChIKey is ZNBDDKDHNYNPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5(2)4-9-7(11)10-6(3)8/h5H,3-4,8H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-(1-aminoethenyl)-3-(2-methylpropyl)urea?
1-(1-aminoethenyl)-3-(2-methylpropyl)urea has a molecular weight of 157.22 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethenyl)-3-(2-methylpropyl)urea is sourced from PubChem (CID 18721993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).