N-chloromethanamine;ethane

C3H10ClN — CID 90978726

IUPACN-chloromethanamine;ethane
SMILESCC.CNCl
InChIInChI=1S/C2H6.CH4ClN/c1-2;1-3-2/h1-2H3;3H,1H3
InChIKeyJNNBNZMUFLISGO-UHFFFAOYSA-N
MW95.57 g/mol
LogP1.39
Rot. Bonds

About N-chloromethanamine;ethane

N-chloromethanamine;ethane (PubChem CID 90978726) has the molecular formula C3H10ClN and a molecular weight of 95.57 g/mol. Its IUPAC name is N-chloromethanamine;ethane.

Molecular Properties

Compound NameN-chloromethanamine;ethane
PubChem CID90978726
Molecular FormulaC3H10ClN
Molecular Weight95.57 g/mol
Exact Mass95.05
IUPAC NameN-chloromethanamine;ethane
SMILESCC.CNCl
InChIInChI=1S/C2H6.CH4ClN/c1-2;1-3-2/h1-2H3;3H,1H3
InChIKeyJNNBNZMUFLISGO-UHFFFAOYSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.57
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloromethanamine;ethane?
The IUPAC name of N-chloromethanamine;ethane (CID 90978726) is N-chloromethanamine;ethane.
What is the SMILES notation for N-chloromethanamine;ethane?
The canonical SMILES for N-chloromethanamine;ethane is CC.CNCl.
What is the InChIKey of N-chloromethanamine;ethane?
The InChIKey is JNNBNZMUFLISGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.CH4ClN/c1-2;1-3-2/h1-2H3;3H,1H3.
What are the key properties of N-chloromethanamine;ethane?
N-chloromethanamine;ethane has a molecular weight of 95.57 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloromethanamine;ethane is sourced from PubChem (CID 90978726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).