N,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine

C12H24N2 — CID 58898603

IUPACN,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine
SMILESCC(=CCN(C)C)C(C)=CCN(C)C
InChIInChI=1S/C12H24N2/c1-11(7-9-13(3)4)12(2)8-10-14(5)6/h7-8H,9-10H2,1-6H3
InChIKeyNLPHRORSRQOQNR-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds5

About N,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine

N,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine (PubChem CID 58898603) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine.

Molecular Properties

Compound NameN,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine
PubChem CID58898603
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine
SMILESCC(=CCN(C)C)C(C)=CCN(C)C
InChIInChI=1S/C12H24N2/c1-11(7-9-13(3)4)12(2)8-10-14(5)6/h7-8H,9-10H2,1-6H3
InChIKeyNLPHRORSRQOQNR-UHFFFAOYSA-N
XLogP2.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine?
The IUPAC name of N,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine (CID 58898603) is N,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine.
What is the SMILES notation for N,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine?
The canonical SMILES for N,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine is CC(=CCN(C)C)C(C)=CCN(C)C.
What is the InChIKey of N,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine?
The InChIKey is NLPHRORSRQOQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(7-9-13(3)4)12(2)8-10-14(5)6/h7-8H,9-10H2,1-6H3.
What are the key properties of N,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine?
N,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N',3,4-hexamethylhexa-2,4-diene-1,6-diamine is sourced from PubChem (CID 58898603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).