ethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine

C7H16N2 — CID 143002432

IUPACethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine
SMILESC=NN(C)/C=C\C.CC
InChIInChI=1S/C5H10N2.C2H6/c1-4-5-7(3)6-2;1-2/h4-5H,2H2,1,3H3;1-2H3/b5-4-;
InChIKeyOMLKUOCXUBSRQT-MKWAYWHRSA-N
MW128.22 g/mol
LogP2.09
Rot. Bonds2

About ethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine

ethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine (PubChem CID 143002432) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is ethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine
PubChem CID143002432
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Nameethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine
SMILESC=NN(C)/C=C\C.CC
InChIInChI=1S/C5H10N2.C2H6/c1-4-5-7(3)6-2;1-2/h4-5H,2H2,1,3H3;1-2H3/b5-4-;
InChIKeyOMLKUOCXUBSRQT-MKWAYWHRSA-N
XLogP2.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine?
The IUPAC name of ethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine (CID 143002432) is ethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine?
The canonical SMILES for ethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine is C=NN(C)/C=C\C.CC.
What is the InChIKey of ethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine?
The InChIKey is OMLKUOCXUBSRQT-MKWAYWHRSA-N. The full InChI is InChI=1S/C5H10N2.C2H6/c1-4-5-7(3)6-2;1-2/h4-5H,2H2,1,3H3;1-2H3/b5-4-;.
What are the key properties of ethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine?
ethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine has a molecular weight of 128.22 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-methyl-N-(methylideneamino)prop-1-en-1-amine is sourced from PubChem (CID 143002432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).