1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea

C14H29N3O — CID 108911426

IUPAC1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
SMILESCCN(CC)CCCNC(=O)N/C=C/C(C)(C)C
InChIInChI=1S/C14H29N3O/c1-6-17(7-2)12-8-10-15-13(18)16-11-9-14(3,4)5/h9,11H,6-8,10,12H2,1-5H3,(H2,15,16,18)/b11-9+
InChIKeyUNFSMDGUWJAJKM-PKNBQFBNSA-N
MW255.41 g/mol
LogP2.58
Rot. Bonds7

About 1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea

1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea (PubChem CID 108911426) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
PubChem CID108911426
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
SMILESCCN(CC)CCCNC(=O)N/C=C/C(C)(C)C
InChIInChI=1S/C14H29N3O/c1-6-17(7-2)12-8-10-15-13(18)16-11-9-14(3,4)5/h9,11H,6-8,10,12H2,1-5H3,(H2,15,16,18)/b11-9+
InChIKeyUNFSMDGUWJAJKM-PKNBQFBNSA-N
XLogP2.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.58
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-[(E)-3,3-dimethylbut-1-enyl]-3-(3-propan-2-yloxypropyl)urea
CID 108911431
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea
CID 108904741
1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea
CID 108893604
2-[3-(diethylamino)propylcarbamoylamino]-2-ethylbutanoic acid
CID 79803733
N-[3-(diethylamino)propyl]-4-oxobutanamide
CID 87316109
N-[3-(diethylamino)propyl]-4-oxopentanamide
CID 60638247
N-[3-(diethylamino)propyl]-2,2-difluoroacetamide
CID 103600714
N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
CID 102116497
2-[3-(diethylamino)propylcarbamoylamino]butanoic acid
CID 61189654
1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea
CID 108911440
tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid
CID 173139559
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea (CID 108911426) is 1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea is CCN(CC)CCCNC(=O)N/C=C/C(C)(C)C.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The InChIKey is UNFSMDGUWJAJKM-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H29N3O/c1-6-17(7-2)12-8-10-15-13(18)16-11-9-14(3,4)5/h9,11H,6-8,10,12H2,1-5H3,(H2,15,16,18)/b11-9+.
What are the key properties of 1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea?
1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea has a molecular weight of 255.41 g/mol, XLogP of 2.58, 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-[(E)-3,3-dimethylbut-1-enyl]urea is sourced from PubChem (CID 108911426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).