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

C8H17ClN2O2 — CID 151629200

IUPAC3-[3-chloropropyl(methyl)amino]propyl carbamate
SMILESCN(CCCCl)CCCOC(N)=O
InChIInChI=1S/C8H17ClN2O2/c1-11(5-2-4-9)6-3-7-13-8(10)12/h2-7H2,1H3,(H2,10,12)
InChIKeyQQDMZMMZTGZHBM-UHFFFAOYSA-N
MW208.69 g/mol
LogP1.03
Rot. Bonds7

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

3-[3-chloropropyl(methyl)amino]propyl carbamate (PubChem CID 151629200) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 3-[3-chloropropyl(methyl)amino]propyl carbamate.

Molecular Properties

Compound Name3-[3-chloropropyl(methyl)amino]propyl carbamate
PubChem CID151629200
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC Name3-[3-chloropropyl(methyl)amino]propyl carbamate
SMILESCN(CCCCl)CCCOC(N)=O
InChIInChI=1S/C8H17ClN2O2/c1-11(5-2-4-9)6-3-7-13-8(10)12/h2-7H2,1H3,(H2,10,12)
InChIKeyQQDMZMMZTGZHBM-UHFFFAOYSA-N
XLogP1.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-aminopropyl(methyl)amino]propyl carbamate
CID 155026882
3-[di(propan-2-yl)amino]propyl carbamate
CID 175431360
9-carbamoyloxynonyl carbamate
CID 87883969
3-chloropropyl 2-oxopropanoate
CID 55302945
butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;phosphane
CID 174948771
butyl carbamate;hydroiodide
CID 161347358
3-[methyl(3-phosphonooxypropyl)amino]propyl dihydrogen phosphate
CID 58601805
ethane;pentyl carbamate
CID 142339635
3-chloropropyl acetate;phosphane
CID 88684700
bis(4-chlorobutyl) butanedioate
CID 87755662
octacosyl carbamate
CID 160925840

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloropropyl(methyl)amino]propyl carbamate?
The IUPAC name of 3-[3-chloropropyl(methyl)amino]propyl carbamate (CID 151629200) is 3-[3-chloropropyl(methyl)amino]propyl carbamate.
What is the SMILES notation for 3-[3-chloropropyl(methyl)amino]propyl carbamate?
The canonical SMILES for 3-[3-chloropropyl(methyl)amino]propyl carbamate is CN(CCCCl)CCCOC(N)=O.
What is the InChIKey of 3-[3-chloropropyl(methyl)amino]propyl carbamate?
The InChIKey is QQDMZMMZTGZHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O2/c1-11(5-2-4-9)6-3-7-13-8(10)12/h2-7H2,1H3,(H2,10,12).
What are the key properties of 3-[3-chloropropyl(methyl)amino]propyl carbamate?
3-[3-chloropropyl(methyl)amino]propyl carbamate has a molecular weight of 208.69 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloropropyl(methyl)amino]propyl carbamate is sourced from PubChem (CID 151629200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).