(3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine

C10H16N2 — CID 143841641

IUPAC(3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine
SMILESC=C/C(C)=C(NN=C)\C(C)=C/C
InChIInChI=1S/C10H16N2/c1-6-8(3)10(12-11-5)9(4)7-2/h6-7,12H,1,5H2,2-4H3/b9-7-,10-8+
InChIKeyVCBZDBVYDPDKKY-FKJILZIQSA-N
MW164.25 g/mol
LogP2.62
Rot. Bonds4

About (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine

(3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine (PubChem CID 143841641) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine
PubChem CID143841641
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine
SMILESC=C/C(C)=C(NN=C)\C(C)=C/C
InChIInChI=1S/C10H16N2/c1-6-8(3)10(12-11-5)9(4)7-2/h6-7,12H,1,5H2,2-4H3/b9-7-,10-8+
InChIKeyVCBZDBVYDPDKKY-FKJILZIQSA-N
XLogP2.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
CID 88960569
(2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine
CID 118550351
(4Z)-2-methyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine
CID 118900442
(4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine
CID 138656040
(3Z,6Z)-N-(3-methylbut-2-en-2-yl)-N-(methylideneamino)octa-1,3,6-trien-2-amine
CID 139373816
(3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane
CID 143256208
ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine
CID 143256655
[(3Z,5Z)-3-ethenyl-5-methylhepta-1,3,5-trien-2-yl]hydrazine
CID 144100240
ethane;(4E)-5-propan-2-ylidene-4-prop-2-enylidene-1H-pyrazole
CID 144128892
ethane;methanimine;(3E,5Z)-3-methylocta-3,5,7-trien-4-amine
CID 145153561
(4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine
CID 147333916
ethane;(4Z)-2-methyl-N-(methylideneamino)hexa-2,4-dien-3-amine
CID 153547147

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine (CID 143841641) is (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine is C=C/C(C)=C(NN=C)\C(C)=C/C.
What is the InChIKey of (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine?
The InChIKey is VCBZDBVYDPDKKY-FKJILZIQSA-N. The full InChI is InChI=1S/C10H16N2/c1-6-8(3)10(12-11-5)9(4)7-2/h6-7,12H,1,5H2,2-4H3/b9-7-,10-8+.
What are the key properties of (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine?
(3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine has a molecular weight of 164.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine is sourced from PubChem (CID 143841641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).