methyl N-(2-aminopropyl)carbamate;hydrochloride

C5H13ClN2O2 — CID 155820191

IUPACmethyl N-(2-aminopropyl)carbamate;hydrochloride
SMILESCOC(=O)NCC(C)N.Cl
InChIInChI=1S/C5H12N2O2.ClH/c1-4(6)3-7-5(8)9-2;/h4H,3,6H2,1-2H3,(H,7,8);1H
InChIKeyPBEOMGACOCEPRM-UHFFFAOYSA-N
MW168.62 g/mol
LogP0.11
Rot. Bonds2

About methyl N-(2-aminopropyl)carbamate;hydrochloride

methyl N-(2-aminopropyl)carbamate;hydrochloride (PubChem CID 155820191) has the molecular formula C5H13ClN2O2 and a molecular weight of 168.62 g/mol. Its IUPAC name is methyl N-(2-aminopropyl)carbamate;hydrochloride.

Molecular Properties

Compound Namemethyl N-(2-aminopropyl)carbamate;hydrochloride
PubChem CID155820191
Molecular FormulaC5H13ClN2O2
Molecular Weight168.62 g/mol
Exact Mass168.07
IUPAC Namemethyl N-(2-aminopropyl)carbamate;hydrochloride
SMILESCOC(=O)NCC(C)N.Cl
InChIInChI=1S/C5H12N2O2.ClH/c1-4(6)3-7-5(8)9-2;/h4H,3,6H2,1-2H3,(H,7,8);1H
InChIKeyPBEOMGACOCEPRM-UHFFFAOYSA-N
XLogP0.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-aminopropyl)carbamate;hydrochloride?
The IUPAC name of methyl N-(2-aminopropyl)carbamate;hydrochloride (CID 155820191) is methyl N-(2-aminopropyl)carbamate;hydrochloride.
What is the SMILES notation for methyl N-(2-aminopropyl)carbamate;hydrochloride?
The canonical SMILES for methyl N-(2-aminopropyl)carbamate;hydrochloride is COC(=O)NCC(C)N.Cl.
What is the InChIKey of methyl N-(2-aminopropyl)carbamate;hydrochloride?
The InChIKey is PBEOMGACOCEPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.ClH/c1-4(6)3-7-5(8)9-2;/h4H,3,6H2,1-2H3,(H,7,8);1H.
What are the key properties of methyl N-(2-aminopropyl)carbamate;hydrochloride?
methyl N-(2-aminopropyl)carbamate;hydrochloride has a molecular weight of 168.62 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-aminopropyl)carbamate;hydrochloride is sourced from PubChem (CID 155820191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).