(2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine

C14H23N3 — CID 134567726

IUPAC(2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine
SMILESC=C/C(=C\N=C(C)C)C(=NC)/C(C)=C(\C)NC
InChIInChI=1S/C14H23N3/c1-8-13(9-17-10(2)3)14(16-7)11(4)12(5)15-6/h8-9,15H,1H2,2-7H3/b12-11+,13-9+,16-14-
InChIKeyYJDONAJKPJYDJD-ZEIOPOBBSA-N
MW233.36 g/mol
LogP3.12
Rot. Bonds5

About (2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine

(2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine (PubChem CID 134567726) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine.

Molecular Properties

Compound Name(2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine
PubChem CID134567726
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine
SMILESC=C/C(=C\N=C(C)C)C(=NC)/C(C)=C(\C)NC
InChIInChI=1S/C14H23N3/c1-8-13(9-17-10(2)3)14(16-7)11(4)12(5)15-6/h8-9,15H,1H2,2-7H3/b12-11+,13-9+,16-14-
InChIKeyYJDONAJKPJYDJD-ZEIOPOBBSA-N
XLogP3.12
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
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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Related Compounds

(1E,3E)-N-[3-[[(E)-4-ethenylhex-4-en-3-ylidene]amino]prop-1-en-2-yl]-4-fluorohexa-1,3,5-trien-1-amine
CID 135161473
(2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine
CID 177041004
N,4-dimethyl-10-methyliminoundeca-2,4,6,8-tetraen-2-amine
CID 53962751
[6-(Ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium
CID 59120193
(Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine
CID 89363365
(2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine
CID 91870113
1-[[(2E)-8-methylidenedeca-2,9-dien-4-ylidene]amino]propan-1-amine
CID 123286955
(2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine
CID 129084958
(Z)-2-[[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-3,3-dimethylbut-1-en-1-amine
CID 129143105
(4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine
CID 129169872
(1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine
CID 129191557
(4Z,6Z,8Z)-5-(2-iminopropyl)-N,6-dimethyldeca-4,6,8-trien-4-amine
CID 129236613

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine?
The IUPAC name of (2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine (CID 134567726) is (2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine.
What is the SMILES notation for (2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine?
The canonical SMILES for (2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine is C=C/C(=C\N=C(C)C)C(=NC)/C(C)=C(\C)NC.
What is the InChIKey of (2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine?
The InChIKey is YJDONAJKPJYDJD-ZEIOPOBBSA-N. The full InChI is InChI=1S/C14H23N3/c1-8-13(9-17-10(2)3)14(16-7)11(4)12(5)15-6/h8-9,15H,1H2,2-7H3/b12-11+,13-9+,16-14-.
What are the key properties of (2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine?
(2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine is sourced from PubChem (CID 134567726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).