methyl N,N-bis(3-aminopropyl)carbamate

C8H19N3O2 — CID 20606530

IUPACmethyl N,N-bis(3-aminopropyl)carbamate
SMILESCOC(=O)N(CCCN)CCCN
InChIInChI=1S/C8H19N3O2/c1-13-8(12)11(6-2-4-9)7-3-5-10/h2-7,9-10H2,1H3
InChIKeyVMYHETUOZPKUGX-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.25
Rot. Bonds6

About methyl N,N-bis(3-aminopropyl)carbamate

methyl N,N-bis(3-aminopropyl)carbamate (PubChem CID 20606530) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is methyl N,N-bis(3-aminopropyl)carbamate.

Molecular Properties

Compound Namemethyl N,N-bis(3-aminopropyl)carbamate
PubChem CID20606530
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Namemethyl N,N-bis(3-aminopropyl)carbamate
SMILESCOC(=O)N(CCCN)CCCN
InChIInChI=1S/C8H19N3O2/c1-13-8(12)11(6-2-4-9)7-3-5-10/h2-7,9-10H2,1H3
InChIKeyVMYHETUOZPKUGX-UHFFFAOYSA-N
XLogP-0.25
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze methyl N,N-bis(3-aminopropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N,N-bis(3-aminopropyl)carbamate?
The IUPAC name of methyl N,N-bis(3-aminopropyl)carbamate (CID 20606530) is methyl N,N-bis(3-aminopropyl)carbamate.
What is the SMILES notation for methyl N,N-bis(3-aminopropyl)carbamate?
The canonical SMILES for methyl N,N-bis(3-aminopropyl)carbamate is COC(=O)N(CCCN)CCCN.
What is the InChIKey of methyl N,N-bis(3-aminopropyl)carbamate?
The InChIKey is VMYHETUOZPKUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-13-8(12)11(6-2-4-9)7-3-5-10/h2-7,9-10H2,1H3.
What are the key properties of methyl N,N-bis(3-aminopropyl)carbamate?
methyl N,N-bis(3-aminopropyl)carbamate has a molecular weight of 189.26 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-bis(3-aminopropyl)carbamate is sourced from PubChem (CID 20606530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).