methyl N-(2-aminoethyl)carbamate;propane

C7H18N2O2 — CID 160898455

IUPACmethyl N-(2-aminoethyl)carbamate;propane
SMILESCCC.COC(=O)NCCN
InChIInChI=1S/C4H10N2O2.C3H8/c1-8-4(7)6-3-2-5;1-3-2/h2-3,5H2,1H3,(H,6,7);3H2,1-2H3
InChIKeySPEMHHYIFXUBQA-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.72
Rot. Bonds2

About methyl N-(2-aminoethyl)carbamate;propane

methyl N-(2-aminoethyl)carbamate;propane (PubChem CID 160898455) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is methyl N-(2-aminoethyl)carbamate;propane.

Molecular Properties

Compound Namemethyl N-(2-aminoethyl)carbamate;propane
PubChem CID160898455
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Namemethyl N-(2-aminoethyl)carbamate;propane
SMILESCCC.COC(=O)NCCN
InChIInChI=1S/C4H10N2O2.C3H8/c1-8-4(7)6-3-2-5;1-3-2/h2-3,5H2,1H3,(H,6,7);3H2,1-2H3
InChIKeySPEMHHYIFXUBQA-UHFFFAOYSA-N
XLogP0.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-aminoethyl)carbamate;propane?
The IUPAC name of methyl N-(2-aminoethyl)carbamate;propane (CID 160898455) is methyl N-(2-aminoethyl)carbamate;propane.
What is the SMILES notation for methyl N-(2-aminoethyl)carbamate;propane?
The canonical SMILES for methyl N-(2-aminoethyl)carbamate;propane is CCC.COC(=O)NCCN.
What is the InChIKey of methyl N-(2-aminoethyl)carbamate;propane?
The InChIKey is SPEMHHYIFXUBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2.C3H8/c1-8-4(7)6-3-2-5;1-3-2/h2-3,5H2,1H3,(H,6,7);3H2,1-2H3.
What are the key properties of methyl N-(2-aminoethyl)carbamate;propane?
methyl N-(2-aminoethyl)carbamate;propane has a molecular weight of 162.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-aminoethyl)carbamate;propane is sourced from PubChem (CID 160898455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).