1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea

C11H23N3O — CID 108910307

IUPAC1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)NCCCN(CC)CC
InChIInChI=1S/C11H23N3O/c1-5-14(6-2)9-7-8-12-11(15)13-10(3)4/h3,5-9H2,1-2,4H3,(H2,12,13,15)
InChIKeyPUVYQMMIRMXJAY-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.55
Rot. Bonds7

About 1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea

1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea (PubChem CID 108910307) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea
PubChem CID108910307
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)NCCCN(CC)CC
InChIInChI=1S/C11H23N3O/c1-5-14(6-2)9-7-8-12-11(15)13-10(3)4/h3,5-9H2,1-2,4H3,(H2,12,13,15)
InChIKeyPUVYQMMIRMXJAY-UHFFFAOYSA-N
XLogP1.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-5-methyl-2-imidazolone
CID 26434
2-(Diethylamino)prop-2-enylurea
CID 20522159
3-ethyl-4-methyl-1H-imidazol-2-one
CID 55287036
1-Propan-2-yl-3-(1-prop-1-en-2-ylpiperidin-4-yl)urea
CID 68267242
1-Methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea
CID 88981943
N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide
CID 89105810
1-Prop-1-en-2-yl-1,3-diazinan-2-one
CID 89665981
1-Ethyl-3-prop-1-en-2-ylurea
CID 89887483
1-Propan-2-yl-3-prop-1-en-2-ylurea
CID 108910164
1,1-Diethyl-3-prop-1-en-2-ylurea
CID 108910320
N,N-dimethyl-4-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 137507520
(6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one
CID 142817934

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea (CID 108910307) is 1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea is C=C(C)NC(=O)NCCCN(CC)CC.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea?
The InChIKey is PUVYQMMIRMXJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-5-14(6-2)9-7-8-12-11(15)13-10(3)4/h3,5-9H2,1-2,4H3,(H2,12,13,15).
What are the key properties of 1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea?
1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea has a molecular weight of 213.32 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).