(5E)-2-N-methylhepta-1,5-diene-2,5-diamine

C8H16N2 — CID 134441201

IUPAC(5E)-2-N-methylhepta-1,5-diene-2,5-diamine
SMILESC=C(CC/C(N)=C\C)NC
InChIInChI=1S/C8H16N2/c1-4-8(9)6-5-7(2)10-3/h4,10H,2,5-6,9H2,1,3H3/b8-4+
InChIKeyQVKWAIGCJGPXGF-XBXARRHUSA-N
MW140.23 g/mol
LogP1.36
Rot. Bonds4

About (5E)-2-N-methylhepta-1,5-diene-2,5-diamine

(5E)-2-N-methylhepta-1,5-diene-2,5-diamine (PubChem CID 134441201) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (5E)-2-N-methylhepta-1,5-diene-2,5-diamine.

Molecular Properties

Compound Name(5E)-2-N-methylhepta-1,5-diene-2,5-diamine
PubChem CID134441201
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(5E)-2-N-methylhepta-1,5-diene-2,5-diamine
SMILESC=C(CC/C(N)=C\C)NC
InChIInChI=1S/C8H16N2/c1-4-8(9)6-5-7(2)10-3/h4,10H,2,5-6,9H2,1,3H3/b8-4+
InChIKeyQVKWAIGCJGPXGF-XBXARRHUSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-N-methylhepta-1,5-diene-2,5-diamine?
The IUPAC name of (5E)-2-N-methylhepta-1,5-diene-2,5-diamine (CID 134441201) is (5E)-2-N-methylhepta-1,5-diene-2,5-diamine.
What is the SMILES notation for (5E)-2-N-methylhepta-1,5-diene-2,5-diamine?
The canonical SMILES for (5E)-2-N-methylhepta-1,5-diene-2,5-diamine is C=C(CC/C(N)=C\C)NC.
What is the InChIKey of (5E)-2-N-methylhepta-1,5-diene-2,5-diamine?
The InChIKey is QVKWAIGCJGPXGF-XBXARRHUSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8(9)6-5-7(2)10-3/h4,10H,2,5-6,9H2,1,3H3/b8-4+.
What are the key properties of (5E)-2-N-methylhepta-1,5-diene-2,5-diamine?
(5E)-2-N-methylhepta-1,5-diene-2,5-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-N-methylhepta-1,5-diene-2,5-diamine is sourced from PubChem (CID 134441201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).