(1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine

C17H27N3 — CID 138666244

IUPAC(1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine
SMILESC=C/C=C(\NC)C(=C(C)C)/C(C)=C(\N=C)NC1(C)CC1
InChIInChI=1S/C17H27N3/c1-8-9-14(18-6)15(12(2)3)13(4)16(19-7)20-17(5)10-11-17/h8-9,18,20H,1,7,10-11H2,2-6H3/b14-9-,16-13-
InChIKeyHOXGDPRCEVHUNC-ZFNUHOEMSA-N
MW273.42 g/mol
LogP3.69
Rot. Bonds7

About (1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine

(1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine (PubChem CID 138666244) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine.

Molecular Properties

Compound Name(1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine
PubChem CID138666244
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine
SMILESC=C/C=C(\NC)C(=C(C)C)/C(C)=C(\N=C)NC1(C)CC1
InChIInChI=1S/C17H27N3/c1-8-9-14(18-6)15(12(2)3)13(4)16(19-7)20-17(5)10-11-17/h8-9,18,20H,1,7,10-11H2,2-6H3/b14-9-,16-13-
InChIKeyHOXGDPRCEVHUNC-ZFNUHOEMSA-N
XLogP3.69
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine?
The IUPAC name of (1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine (CID 138666244) is (1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine.
What is the SMILES notation for (1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine?
The canonical SMILES for (1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine is C=C/C=C(\NC)C(=C(C)C)/C(C)=C(\N=C)NC1(C)CC1.
What is the InChIKey of (1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine?
The InChIKey is HOXGDPRCEVHUNC-ZFNUHOEMSA-N. The full InChI is InChI=1S/C17H27N3/c1-8-9-14(18-6)15(12(2)3)13(4)16(19-7)20-17(5)10-11-17/h8-9,18,20H,1,7,10-11H2,2-6H3/b14-9-,16-13-.
What are the key properties of (1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine?
(1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine has a molecular weight of 273.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-4-N,2-dimethyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenehepta-1,4,6-triene-1,4-diamine is sourced from PubChem (CID 138666244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).