[4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea

C16H24N4O — CID 43792627

IUPAC[4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea
SMILESCC(NC1CCN2CCCC12)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H24N4O/c1-11(12-4-6-13(7-5-12)19-16(17)21)18-14-8-10-20-9-2-3-15(14)20/h4-7,11,14-15,18H,2-3,8-10H2,1H3,(H3,17,19,21)
InChIKeyIVWKXDFKYTYBST-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.06
Rot. Bonds4

About [4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea

[4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea (PubChem CID 43792627) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea
PubChem CID43792627
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea
SMILESCC(NC1CCN2CCCC12)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H24N4O/c1-11(12-4-6-13(7-5-12)19-16(17)21)18-14-8-10-20-9-2-3-15(14)20/h4-7,11,14-15,18H,2-3,8-10H2,1H3,(H3,17,19,21)
InChIKeyIVWKXDFKYTYBST-UHFFFAOYSA-N
XLogP2.06
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea with MolForge

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Related Compounds

N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide
CID 43752163
N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694434
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
[4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea
CID 79731111
N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62090694
4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol
CID 43752358
[4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea
CID 62093224
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide
CID 94066099
[4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea
CID 103904097
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853310
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
CID 80554120

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea (CID 43792627) is [4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea is CC(NC1CCN2CCCC12)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea?
The InChIKey is IVWKXDFKYTYBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(12-4-6-13(7-5-12)19-16(17)21)18-14-8-10-20-9-2-3-15(14)20/h4-7,11,14-15,18H,2-3,8-10H2,1H3,(H3,17,19,21).
What are the key properties of [4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea?
[4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea has a molecular weight of 288.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea is sourced from PubChem (CID 43792627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).