propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride

C9H21ClN2O2 — CID 15575641

IUPACpropyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride
SMILESCCCOC(=O)NCCCN(C)C.Cl
InChIInChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H
InChIKeyMKIMSXGUTQTKJU-UHFFFAOYSA-N
MW224.73 g/mol
LogP1.50
Rot. Bonds6

About propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride

propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride (PubChem CID 15575641) has the molecular formula C9H21ClN2O2 and a molecular weight of 224.73 g/mol. Its IUPAC name is propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride.

Molecular Properties

Compound Namepropyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride
PubChem CID15575641
Molecular FormulaC9H21ClN2O2
Molecular Weight224.73 g/mol
Exact Mass224.13
IUPAC Namepropyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride
SMILESCCCOC(=O)NCCCN(C)C.Cl
InChIInChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H
InChIKeyMKIMSXGUTQTKJU-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride?
The IUPAC name of propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride (CID 15575641) is propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride.
What is the SMILES notation for propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride?
The canonical SMILES for propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride is CCCOC(=O)NCCCN(C)C.Cl.
What is the InChIKey of propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride?
The InChIKey is MKIMSXGUTQTKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H.
What are the key properties of propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride?
propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride has a molecular weight of 224.73 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride is sourced from PubChem (CID 15575641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).