ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine

C9H18N2 — CID 142154773

IUPACethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
SMILESC=C/C(=C\N=C)CNC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-7(5-8-2)6-9-3;1-2/h4-5,9H,1-2,6H2,3H3;1-2H3/b7-5+;
InChIKeyDCENWOQQIPDVSS-GZOLSCHFSA-N
MW154.26 g/mol
LogP2.00
Rot. Bonds4

About ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine

ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine (PubChem CID 142154773) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine.

Molecular Properties

Compound Nameethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
PubChem CID142154773
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
SMILESC=C/C(=C\N=C)CNC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-7(5-8-2)6-9-3;1-2/h4-5,9H,1-2,6H2,3H3;1-2H3/b7-5+;
InChIKeyDCENWOQQIPDVSS-GZOLSCHFSA-N
XLogP2.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine?
The IUPAC name of ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine (CID 142154773) is ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine.
What is the SMILES notation for ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine?
The canonical SMILES for ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine is C=C/C(=C\N=C)CNC.CC.
What is the InChIKey of ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine?
The InChIKey is DCENWOQQIPDVSS-GZOLSCHFSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-4-7(5-8-2)6-9-3;1-2/h4-5,9H,1-2,6H2,3H3;1-2H3/b7-5+;.
What are the key properties of ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine?
ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine is sourced from PubChem (CID 142154773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).