(2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine

C8H16N6 — CID 134505108

IUPAC(2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine
SMILESC=N/N=C(\CC)C(N)/C(CN)=N/N=C
InChIInChI=1S/C8H16N6/c1-4-6(13-11-2)8(10)7(5-9)14-12-3/h8H,2-5,9-10H2,1H3/b13-6+,14-7+
InChIKeySOMDEFPLEIBMIG-AANLELRNSA-N
MW196.26 g/mol
LogP-0.20
Rot. Bonds6

About (2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine

(2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine (PubChem CID 134505108) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is (2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine.

Molecular Properties

Compound Name(2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine
PubChem CID134505108
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name(2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine
SMILESC=N/N=C(\CC)C(N)/C(CN)=N/N=C
InChIInChI=1S/C8H16N6/c1-4-6(13-11-2)8(10)7(5-9)14-12-3/h8H,2-5,9-10H2,1H3/b13-6+,14-7+
InChIKeySOMDEFPLEIBMIG-AANLELRNSA-N
XLogP-0.20
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

N-(methylideneamino)pentan-3-imine
CID 123972689
(3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide
CID 166736449
2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine
CID 131880639
(Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine
CID 123457704
ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate
CID 172916491
N-tert-butyl-2-methylpentan-3-imine
CID 12705448
2-methyliminobutan-1-amine
CID 59938695
2-aminoacetic acid;ethanamine
CID 162171079
2-(3-aminoprop-1-en-2-yloxy)prop-2-en-1-amine
CID 87931540
(Z)-N-(methylideneamino)non-6-yn-3-imine
CID 123298321
2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid
CID 144656113
1-amino-2-methylidenebutane-1-thiol
CID 155305632

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine?
The IUPAC name of (2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine (CID 134505108) is (2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine.
What is the SMILES notation for (2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine?
The canonical SMILES for (2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine is C=N/N=C(\CC)C(N)/C(CN)=N/N=C.
What is the InChIKey of (2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine?
The InChIKey is SOMDEFPLEIBMIG-AANLELRNSA-N. The full InChI is InChI=1S/C8H16N6/c1-4-6(13-11-2)8(10)7(5-9)14-12-3/h8H,2-5,9-10H2,1H3/b13-6+,14-7+.
What are the key properties of (2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine?
(2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine has a molecular weight of 196.26 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2,4-bis(methylidenehydrazinylidene)hexane-1,3-diamine is sourced from PubChem (CID 134505108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).