(2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine

C8H14N2 — CID 134448028

IUPAC(2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine
SMILESC=CC/C=C(\C=N\C)CN
InChIInChI=1S/C8H14N2/c1-3-4-5-8(6-9)7-10-2/h3,5,7H,1,4,6,9H2,2H3/b8-5-,10-7+
InChIKeyDFSXUNLDONYSOV-OEPUHGBTSA-N
MW138.21 g/mol
LogP1.15
Rot. Bonds4

About (2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine

(2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine (PubChem CID 134448028) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine
PubChem CID134448028
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine
SMILESC=CC/C=C(\C=N\C)CN
InChIInChI=1S/C8H14N2/c1-3-4-5-8(6-9)7-10-2/h3,5,7H,1,4,6,9H2,2H3/b8-5-,10-7+
InChIKeyDFSXUNLDONYSOV-OEPUHGBTSA-N
XLogP1.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine?
The IUPAC name of (2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine (CID 134448028) is (2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine.
What is the SMILES notation for (2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine?
The canonical SMILES for (2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine is C=CC/C=C(\C=N\C)CN.
What is the InChIKey of (2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine?
The InChIKey is DFSXUNLDONYSOV-OEPUHGBTSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-5-8(6-9)7-10-2/h3,5,7H,1,4,6,9H2,2H3/b8-5-,10-7+.
What are the key properties of (2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine?
(2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(methyliminomethyl)hexa-2,5-dien-1-amine is sourced from PubChem (CID 134448028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).