(3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine

C11H18N2 — CID 178005265

IUPAC(3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine
SMILESC=N/C=C(C)/C=C(\C)C(=C)N(C)C
InChIInChI=1S/C11H18N2/c1-9(8-12-4)7-10(2)11(3)13(5)6/h7-8H,3-4H2,1-2,5-6H3/b9-8+,10-7+
InChIKeySVSFTIITFIPNDL-DGLUDJRXSA-N
MW178.28 g/mol
LogP2.61
Rot. Bonds4

About (3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine

(3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine (PubChem CID 178005265) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine
PubChem CID178005265
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine
SMILESC=N/C=C(C)/C=C(\C)C(=C)N(C)C
InChIInChI=1S/C11H18N2/c1-9(8-12-4)7-10(2)11(3)13(5)6/h7-8H,3-4H2,1-2,5-6H3/b9-8+,10-7+
InChIKeySVSFTIITFIPNDL-DGLUDJRXSA-N
XLogP2.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine
CID 88579421
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 143747590
3-methyl-4-(methylideneamino)but-3-en-2-one
CID 123257729
(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine
CID 142103381
ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 144508821
(3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine
CID 166786271
6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
CID 123158046
(1E)-2-methyl-1-(methylideneamino)penta-1,4-dien-3-one
CID 118428989
(Z)-2-[1-(dimethylamino)propan-2-ylideneamino]-N,N-dimethyl-3-(methylideneamino)prop-2-en-1-amine
CID 134400931
(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine
CID 138700894
(3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol
CID 166800297

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine (CID 178005265) is (3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine is C=N/C=C(C)/C=C(\C)C(=C)N(C)C.
What is the InChIKey of (3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine?
The InChIKey is SVSFTIITFIPNDL-DGLUDJRXSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(8-12-4)7-10(2)11(3)13(5)6/h7-8H,3-4H2,1-2,5-6H3/b9-8+,10-7+.
What are the key properties of (3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine?
(3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 178005265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).