2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide)

C34H72N6 — CID 159200626

IUPAC2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide)
SMILESC/N=C(\C)N(C)C.C/N=C(\C)N(C)C.CC(C)=C(C)C(C)=C(C)C.CC(C)=C(C)N(C)C.CC(C)=C(C)N(C)C
InChIInChI=1S/C10H18.2C7H15N.2C5H12N2/c1-7(2)9(5)10(6)8(3)4;2*1-6(2)7(3)8(4)5;2*1-5(6-2)7(3)4/h1-6H3;2*1-5H3;2*1-4H3/b;;;2*6-5+
InChIKeyKPFWGASYQRSQEV-RFWKPZRTSA-N
MW564.99 g/mol
LogP8.61
Rot. Bonds3

About 2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide)

2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide) (PubChem CID 159200626) has the molecular formula C34H72N6 and a molecular weight of 564.99 g/mol. Its IUPAC name is 2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide).

Molecular Properties

Compound Name2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide)
PubChem CID159200626
Molecular FormulaC34H72N6
Molecular Weight564.99 g/mol
Exact Mass564.58
IUPAC Name2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide)
SMILESC/N=C(\C)N(C)C.C/N=C(\C)N(C)C.CC(C)=C(C)C(C)=C(C)C.CC(C)=C(C)N(C)C.CC(C)=C(C)N(C)C
InChIInChI=1S/C10H18.2C7H15N.2C5H12N2/c1-7(2)9(5)10(6)8(3)4;2*1-6(2)7(3)8(4)5;2*1-5(6-2)7(3)4/h1-6H3;2*1-5H3;2*1-4H3/b;;;2*6-5+
InChIKeyKPFWGASYQRSQEV-RFWKPZRTSA-N
XLogP8.61
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.99
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)ethanimidamide
CID 139818258
N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane
CID 172628054
N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide
CID 172628055

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide)?
The IUPAC name of 2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide) (CID 159200626) is 2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide).
What is the SMILES notation for 2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide)?
The canonical SMILES for 2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide) is C/N=C(\C)N(C)C.C/N=C(\C)N(C)C.CC(C)=C(C)C(C)=C(C)C.CC(C)=C(C)N(C)C.CC(C)=C(C)N(C)C.
What is the InChIKey of 2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide)?
The InChIKey is KPFWGASYQRSQEV-RFWKPZRTSA-N. The full InChI is InChI=1S/C10H18.2C7H15N.2C5H12N2/c1-7(2)9(5)10(6)8(3)4;2*1-6(2)7(3)8(4)5;2*1-5(6-2)7(3)4/h1-6H3;2*1-5H3;2*1-4H3/b;;;2*6-5+.
What are the key properties of 2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide)?
2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide) has a molecular weight of 564.99 g/mol, XLogP of 8.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide) is sourced from PubChem (CID 159200626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).