1-(2-aminoethyl)-3-pentylurea

C8H19N3O — CID 87091814

IUPAC1-(2-aminoethyl)-3-pentylurea
SMILESCCCCCNC(=O)NCCN
InChIInChI=1S/C8H19N3O/c1-2-3-4-6-10-8(12)11-7-5-9/h2-7,9H2,1H3,(H2,10,11,12)
InChIKeyQJPFRNFRBRPRQX-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.43
Rot. Bonds6

About 1-(2-aminoethyl)-3-pentylurea

1-(2-aminoethyl)-3-pentylurea (PubChem CID 87091814) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-pentylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-pentylurea
PubChem CID87091814
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1-(2-aminoethyl)-3-pentylurea
SMILESCCCCCNC(=O)NCCN
InChIInChI=1S/C8H19N3O/c1-2-3-4-6-10-8(12)11-7-5-9/h2-7,9H2,1H3,(H2,10,11,12)
InChIKeyQJPFRNFRBRPRQX-UHFFFAOYSA-N
XLogP0.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576
1-(3-aminopropyl)-3-octadecylurea
CID 54170703
1-(2-aminoethyl)-3-butylurea;oxalic acid
CID 22754877
1-butyl-3-octylurea
CID 17269600
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-propyl-3-tridecylurea
CID 10934987
1-(2-aminoethyl)-3-(3-aminopropyl)urea
CID 154943147
6-(octylcarbamoylamino)hexanamide
CID 11833003
1-[3-(dimethylamino)propyl]-3-pentylurea
CID 108988347
1-[2-[bis[2-(octylcarbamoylamino)ethyl]amino]ethyl]-3-octylurea
CID 10555741
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
1-(2-aminoethyl)-3-pentylthiourea
CID 87697549

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-pentylurea?
The IUPAC name of 1-(2-aminoethyl)-3-pentylurea (CID 87091814) is 1-(2-aminoethyl)-3-pentylurea.
What is the SMILES notation for 1-(2-aminoethyl)-3-pentylurea?
The canonical SMILES for 1-(2-aminoethyl)-3-pentylurea is CCCCCNC(=O)NCCN.
What is the InChIKey of 1-(2-aminoethyl)-3-pentylurea?
The InChIKey is QJPFRNFRBRPRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-2-3-4-6-10-8(12)11-7-5-9/h2-7,9H2,1H3,(H2,10,11,12).
What are the key properties of 1-(2-aminoethyl)-3-pentylurea?
1-(2-aminoethyl)-3-pentylurea has a molecular weight of 173.26 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-pentylurea is sourced from PubChem (CID 87091814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).