1-(2-aminopropyl)-3-butylurea

C8H19N3O — CID 63733148

IUPAC1-(2-aminopropyl)-3-butylurea
SMILESCCCCNC(=O)NCC(C)N
InChIInChI=1S/C8H19N3O/c1-3-4-5-10-8(12)11-6-7(2)9/h7H,3-6,9H2,1-2H3,(H2,10,11,12)
InChIKeyLMWXNGPNLORABP-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.43
Rot. Bonds5

About 1-(2-aminopropyl)-3-butylurea

1-(2-aminopropyl)-3-butylurea (PubChem CID 63733148) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(2-aminopropyl)-3-butylurea.

Molecular Properties

Compound Name1-(2-aminopropyl)-3-butylurea
PubChem CID63733148
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1-(2-aminopropyl)-3-butylurea
SMILESCCCCNC(=O)NCC(C)N
InChIInChI=1S/C8H19N3O/c1-3-4-5-10-8(12)11-6-7(2)9/h7H,3-6,9H2,1-2H3,(H2,10,11,12)
InChIKeyLMWXNGPNLORABP-UHFFFAOYSA-N
XLogP0.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
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-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-butyl-3-[2-(ethylamino)propyl]urea
CID 22381398
1-butyl-3-(2-cyanopropyl)urea
CID 62653117
1-butyl-3-(2-ethoxypropyl)urea
CID 115660949
1-hexyl-3-(2-hydroxypropyl)urea
CID 137320550
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
1-butyl-3-octylurea
CID 17269600
2-(butylcarbamoylamino)ethyl 2-methylpropanoate
CID 176996769
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
N-(2-aminopropyl)octadecanamide
CID 86003506
3-methyl-4-(pentylcarbamoylamino)butanoic acid
CID 81073548

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-3-butylurea?
The IUPAC name of 1-(2-aminopropyl)-3-butylurea (CID 63733148) is 1-(2-aminopropyl)-3-butylurea.
What is the SMILES notation for 1-(2-aminopropyl)-3-butylurea?
The canonical SMILES for 1-(2-aminopropyl)-3-butylurea is CCCCNC(=O)NCC(C)N.
What is the InChIKey of 1-(2-aminopropyl)-3-butylurea?
The InChIKey is LMWXNGPNLORABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-3-4-5-10-8(12)11-6-7(2)9/h7H,3-6,9H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-(2-aminopropyl)-3-butylurea?
1-(2-aminopropyl)-3-butylurea has a molecular weight of 173.26 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-3-butylurea is sourced from PubChem (CID 63733148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).