3-[3-aminopropyl(methyl)amino]propyl carbamate

C8H19N3O2 — CID 155026882

IUPAC3-[3-aminopropyl(methyl)amino]propyl carbamate
SMILESCN(CCCN)CCCOC(N)=O
InChIInChI=1S/C8H19N3O2/c1-11(5-2-4-9)6-3-7-13-8(10)12/h2-7,9H2,1H3,(H2,10,12)
InChIKeyWHTVQXNERBHSAS-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.25
Rot. Bonds7

About 3-[3-aminopropyl(methyl)amino]propyl carbamate

3-[3-aminopropyl(methyl)amino]propyl carbamate (PubChem CID 155026882) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-[3-aminopropyl(methyl)amino]propyl carbamate.

Molecular Properties

Compound Name3-[3-aminopropyl(methyl)amino]propyl carbamate
PubChem CID155026882
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name3-[3-aminopropyl(methyl)amino]propyl carbamate
SMILESCN(CCCN)CCCOC(N)=O
InChIInChI=1S/C8H19N3O2/c1-11(5-2-4-9)6-3-7-13-8(10)12/h2-7,9H2,1H3,(H2,10,12)
InChIKeyWHTVQXNERBHSAS-UHFFFAOYSA-N
XLogP-0.25
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(methyl)amino]propyl carbamate?
The IUPAC name of 3-[3-aminopropyl(methyl)amino]propyl carbamate (CID 155026882) is 3-[3-aminopropyl(methyl)amino]propyl carbamate.
What is the SMILES notation for 3-[3-aminopropyl(methyl)amino]propyl carbamate?
The canonical SMILES for 3-[3-aminopropyl(methyl)amino]propyl carbamate is CN(CCCN)CCCOC(N)=O.
What is the InChIKey of 3-[3-aminopropyl(methyl)amino]propyl carbamate?
The InChIKey is WHTVQXNERBHSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-11(5-2-4-9)6-3-7-13-8(10)12/h2-7,9H2,1H3,(H2,10,12).
What are the key properties of 3-[3-aminopropyl(methyl)amino]propyl carbamate?
3-[3-aminopropyl(methyl)amino]propyl carbamate has a molecular weight of 189.26 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(methyl)amino]propyl carbamate is sourced from PubChem (CID 155026882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).