N-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine

C7H14N2 — CID 135202647

IUPACN-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine
SMILESC/C=C\C(C)=N\N(C)C
InChIInChI=1S/C7H14N2/c1-5-6-7(2)8-9(3)4/h5-6H,1-4H3/b6-5-,8-7+
InChIKeyDCXNCHRZZIOOPV-IGTJQSIKSA-N
MW126.20 g/mol
LogP1.50
Rot. Bonds2

About N-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine

N-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine (PubChem CID 135202647) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine
PubChem CID135202647
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine
SMILESC/C=C\C(C)=N\N(C)C
InChIInChI=1S/C7H14N2/c1-5-6-7(2)8-9(3)4/h5-6H,1-4H3/b6-5-,8-7+
InChIKeyDCXNCHRZZIOOPV-IGTJQSIKSA-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-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine?
The IUPAC name of N-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine (CID 135202647) is N-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine is C/C=C\C(C)=N\N(C)C.
What is the InChIKey of N-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine?
The InChIKey is DCXNCHRZZIOOPV-IGTJQSIKSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-6-7(2)8-9(3)4/h5-6H,1-4H3/b6-5-,8-7+.
What are the key properties of N-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine?
N-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]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-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine is sourced from PubChem (CID 135202647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).