3-(dimethylamino)propylcarbamic acid;hydrochloride

C6H15ClN2O2 — CID 87158282

IUPAC3-(dimethylamino)propylcarbamic acid;hydrochloride
SMILESCN(C)CCCNC(=O)O.Cl
InChIInChI=1S/C6H14N2O2.ClH/c1-8(2)5-3-4-7-6(9)10;/h7H,3-5H2,1-2H3,(H,9,10);1H
InChIKeyGOWWJZJSNLQWNY-UHFFFAOYSA-N
MW182.65 g/mol
LogP0.63
Rot. Bonds4

About 3-(dimethylamino)propylcarbamic acid;hydrochloride

3-(dimethylamino)propylcarbamic acid;hydrochloride (PubChem CID 87158282) has the molecular formula C6H15ClN2O2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 3-(dimethylamino)propylcarbamic acid;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)propylcarbamic acid;hydrochloride
PubChem CID87158282
Molecular FormulaC6H15ClN2O2
Molecular Weight182.65 g/mol
Exact Mass182.08
IUPAC Name3-(dimethylamino)propylcarbamic acid;hydrochloride
SMILESCN(C)CCCNC(=O)O.Cl
InChIInChI=1S/C6H14N2O2.ClH/c1-8(2)5-3-4-7-6(9)10;/h7H,3-5H2,1-2H3,(H,9,10);1H
InChIKeyGOWWJZJSNLQWNY-UHFFFAOYSA-N
XLogP0.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040
N-[3-(dimethylamino)propyl]prop-2-ynamide
CID 126549211
N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
CID 19885771
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
3-[bis(2-hydroxyethyl)amino]propylcarbamic acid
CID 19088424
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
1-[3-(dimethylamino)propyl]-3-pentylurea
CID 108988347
1-[3-(dimethylamino)propyl]-3-ethylurea;hydrate
CID 175591595
N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108513916
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propylcarbamic acid;hydrochloride?
The IUPAC name of 3-(dimethylamino)propylcarbamic acid;hydrochloride (CID 87158282) is 3-(dimethylamino)propylcarbamic acid;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)propylcarbamic acid;hydrochloride?
The canonical SMILES for 3-(dimethylamino)propylcarbamic acid;hydrochloride is CN(C)CCCNC(=O)O.Cl.
What is the InChIKey of 3-(dimethylamino)propylcarbamic acid;hydrochloride?
The InChIKey is GOWWJZJSNLQWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.ClH/c1-8(2)5-3-4-7-6(9)10;/h7H,3-5H2,1-2H3,(H,9,10);1H.
What are the key properties of 3-(dimethylamino)propylcarbamic acid;hydrochloride?
3-(dimethylamino)propylcarbamic acid;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propylcarbamic acid;hydrochloride is sourced from PubChem (CID 87158282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).