1-(2-aminoethyl)-3-(3-aminopropyl)urea

C6H16N4O — CID 154943147

IUPAC1-(2-aminoethyl)-3-(3-aminopropyl)urea
SMILESNCCCNC(=O)NCCN
InChIInChI=1S/C6H16N4O/c7-2-1-4-9-6(11)10-5-3-8/h1-5,7-8H2,(H2,9,10,11)
InChIKeyLFCGKNMFAPTVCD-UHFFFAOYSA-N
MW160.22 g/mol
LogP-1.41
Rot. Bonds5

About 1-(2-aminoethyl)-3-(3-aminopropyl)urea

1-(2-aminoethyl)-3-(3-aminopropyl)urea (PubChem CID 154943147) has the molecular formula C6H16N4O and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-(3-aminopropyl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-(3-aminopropyl)urea
PubChem CID154943147
Molecular FormulaC6H16N4O
Molecular Weight160.22 g/mol
Exact Mass160.13
IUPAC Name1-(2-aminoethyl)-3-(3-aminopropyl)urea
SMILESNCCCNC(=O)NCCN
InChIInChI=1S/C6H16N4O/c7-2-1-4-9-6(11)10-5-3-8/h1-5,7-8H2,(H2,9,10,11)
InChIKeyLFCGKNMFAPTVCD-UHFFFAOYSA-N
XLogP-1.41
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-3-pentylurea
CID 87091814
1-(3-aminopropyl)-3-octadecylurea
CID 54170703
1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea
CID 117235686
1-(3-aminopropyl)-3-(2-methylpropyl)urea
CID 117235685
1-(2-aminoethyl)-3-butylurea;oxalic acid
CID 22754877
3-aminopropylcarbamic acid
CID 3023499
(2S)-2-amino-3-(3-aminopropylcarbamoylamino)propanoic acid
CID 89124095
1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide
CID 118288521
1-(3-aminopropyl)-3-ethylurea;2,2,2-trifluoroacetic acid
CID 87130105
1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 117235833

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-(3-aminopropyl)urea?
The IUPAC name of 1-(2-aminoethyl)-3-(3-aminopropyl)urea (CID 154943147) is 1-(2-aminoethyl)-3-(3-aminopropyl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-(3-aminopropyl)urea?
The canonical SMILES for 1-(2-aminoethyl)-3-(3-aminopropyl)urea is NCCCNC(=O)NCCN.
What is the InChIKey of 1-(2-aminoethyl)-3-(3-aminopropyl)urea?
The InChIKey is LFCGKNMFAPTVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O/c7-2-1-4-9-6(11)10-5-3-8/h1-5,7-8H2,(H2,9,10,11).
What are the key properties of 1-(2-aminoethyl)-3-(3-aminopropyl)urea?
1-(2-aminoethyl)-3-(3-aminopropyl)urea has a molecular weight of 160.22 g/mol, XLogP of -1.41, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-(3-aminopropyl)urea is sourced from PubChem (CID 154943147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).