N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine

C7H14N2 — CID 5370235

IUPACN-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
SMILESC=C(C)/C(C)=N\N(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(3)8-9(4)5/h1H2,2-5H3/b8-7-
InChIKeyJLTPVBBSSSBMDA-FPLPWBNLSA-N
MW126.20 g/mol
LogP1.50
Rot. Bonds2

About N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine

N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine (PubChem CID 5370235) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
PubChem CID5370235
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
SMILESC=C(C)/C(C)=N\N(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(3)8-9(4)5/h1H2,2-5H3/b8-7-
InChIKeyJLTPVBBSSSBMDA-FPLPWBNLSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.50
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 N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine (CID 5370235) is N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine is C=C(C)/C(C)=N\N(C)C.
What is the InChIKey of N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine?
The InChIKey is JLTPVBBSSSBMDA-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7(3)8-9(4)5/h1H2,2-5H3/b8-7-.
What are the key properties of N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine?
N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine has a molecular weight of 126.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine is sourced from PubChem (CID 5370235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).