N-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine

C8H14N2 — CID 15269151

IUPACN-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine
SMILESC=CCC(=C)/C=N/N(C)C
InChIInChI=1S/C8H14N2/c1-5-6-8(2)7-9-10(3)4/h5,7H,1-2,6H2,3-4H3/b9-7+
InChIKeyJEXBGBXGDUZXGP-VQHVLOKHSA-N
MW138.21 g/mol
LogP1.67
Rot. Bonds4

About N-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine

N-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine (PubChem CID 15269151) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine
PubChem CID15269151
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine
SMILESC=CCC(=C)/C=N/N(C)C
InChIInChI=1S/C8H14N2/c1-5-6-8(2)7-9-10(3)4/h5,7H,1-2,6H2,3-4H3/b9-7+
InChIKeyJEXBGBXGDUZXGP-VQHVLOKHSA-N
XLogP1.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 N-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine (CID 15269151) is N-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine is C=CCC(=C)/C=N/N(C)C.
What is the InChIKey of N-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine?
The InChIKey is JEXBGBXGDUZXGP-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-6-8(2)7-9-10(3)4/h5,7H,1-2,6H2,3-4H3/b9-7+.
What are the key properties of N-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine?
N-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine has a molecular weight of 138.21 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-2-methylidenepent-4-enylideneamino]methanamine is sourced from PubChem (CID 15269151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).