methyl N-(3-aminopropyl)-N-cyclopropylcarbamate

C8H16N2O2 — CID 43137085

IUPACmethyl N-(3-aminopropyl)-N-cyclopropylcarbamate
SMILESCOC(=O)N(CCCN)C1CC1
InChIInChI=1S/C8H16N2O2/c1-12-8(11)10(6-2-5-9)7-3-4-7/h7H,2-6,9H2,1H3
InChIKeyNCXMEYCQMCODED-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.57
Rot. Bonds4

About methyl N-(3-aminopropyl)-N-cyclopropylcarbamate

methyl N-(3-aminopropyl)-N-cyclopropylcarbamate (PubChem CID 43137085) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is methyl N-(3-aminopropyl)-N-cyclopropylcarbamate.

Molecular Properties

Compound Namemethyl N-(3-aminopropyl)-N-cyclopropylcarbamate
PubChem CID43137085
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namemethyl N-(3-aminopropyl)-N-cyclopropylcarbamate
SMILESCOC(=O)N(CCCN)C1CC1
InChIInChI=1S/C8H16N2O2/c1-12-8(11)10(6-2-5-9)7-3-4-7/h7H,2-6,9H2,1H3
InChIKeyNCXMEYCQMCODED-UHFFFAOYSA-N
XLogP0.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
CID 60828272
tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
CID 50987781
1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea
CID 79154786
N-(3-aminopropyl)-N-cyclopropyl-3-ethoxypropanamide
CID 62588782
1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea
CID 43319501
N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide
CID 43136784
N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide
CID 43136751
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea
CID 102874239
methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 11113943
1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea
CID 79153945
N-(3-aminopropyl)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 62103976

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-aminopropyl)-N-cyclopropylcarbamate?
The IUPAC name of methyl N-(3-aminopropyl)-N-cyclopropylcarbamate (CID 43137085) is methyl N-(3-aminopropyl)-N-cyclopropylcarbamate.
What is the SMILES notation for methyl N-(3-aminopropyl)-N-cyclopropylcarbamate?
The canonical SMILES for methyl N-(3-aminopropyl)-N-cyclopropylcarbamate is COC(=O)N(CCCN)C1CC1.
What is the InChIKey of methyl N-(3-aminopropyl)-N-cyclopropylcarbamate?
The InChIKey is NCXMEYCQMCODED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-12-8(11)10(6-2-5-9)7-3-4-7/h7H,2-6,9H2,1H3.
What are the key properties of methyl N-(3-aminopropyl)-N-cyclopropylcarbamate?
methyl N-(3-aminopropyl)-N-cyclopropylcarbamate has a molecular weight of 172.23 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-aminopropyl)-N-cyclopropylcarbamate is sourced from PubChem (CID 43137085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).