ethane;N-methylmethanimine;2-methylprop-1-en-1-amine

C10H26N2 — CID 143256856

IUPACethane;N-methylmethanimine;2-methylprop-1-en-1-amine
SMILESC=NC.CC.CC.CC(C)=CN
InChIInChI=1S/C4H9N.C2H5N.2C2H6/c1-4(2)3-5;1-3-2;2*1-2/h3H,5H2,1-2H3;1H2,2H3;2*1-2H3
InChIKeyLPJKVFZKOMWOGZ-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.24
Rot. Bonds

About ethane;N-methylmethanimine;2-methylprop-1-en-1-amine

ethane;N-methylmethanimine;2-methylprop-1-en-1-amine (PubChem CID 143256856) has the molecular formula C10H26N2 and a molecular weight of 174.33 g/mol. Its IUPAC name is ethane;N-methylmethanimine;2-methylprop-1-en-1-amine.

Molecular Properties

Compound Nameethane;N-methylmethanimine;2-methylprop-1-en-1-amine
PubChem CID143256856
Molecular FormulaC10H26N2
Molecular Weight174.33 g/mol
Exact Mass174.21
IUPAC Nameethane;N-methylmethanimine;2-methylprop-1-en-1-amine
SMILESC=NC.CC.CC.CC(C)=CN
InChIInChI=1S/C4H9N.C2H5N.2C2H6/c1-4(2)3-5;1-3-2;2*1-2/h3H,5H2,1-2H3;1H2,2H3;2*1-2H3
InChIKeyLPJKVFZKOMWOGZ-UHFFFAOYSA-N
XLogP3.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methylmethanimine;2-methylprop-1-en-1-amine?
The IUPAC name of ethane;N-methylmethanimine;2-methylprop-1-en-1-amine (CID 143256856) is ethane;N-methylmethanimine;2-methylprop-1-en-1-amine.
What is the SMILES notation for ethane;N-methylmethanimine;2-methylprop-1-en-1-amine?
The canonical SMILES for ethane;N-methylmethanimine;2-methylprop-1-en-1-amine is C=NC.CC.CC.CC(C)=CN.
What is the InChIKey of ethane;N-methylmethanimine;2-methylprop-1-en-1-amine?
The InChIKey is LPJKVFZKOMWOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C2H5N.2C2H6/c1-4(2)3-5;1-3-2;2*1-2/h3H,5H2,1-2H3;1H2,2H3;2*1-2H3.
What are the key properties of ethane;N-methylmethanimine;2-methylprop-1-en-1-amine?
ethane;N-methylmethanimine;2-methylprop-1-en-1-amine has a molecular weight of 174.33 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylmethanimine;2-methylprop-1-en-1-amine is sourced from PubChem (CID 143256856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).