(Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine

C16H23N3 — CID 129170413

IUPAC(Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine
SMILESC=N/C=c1/cc(/C(=C/NC)CNC)cc/c1=C/CC
InChIInChI=1S/C16H23N3/c1-5-6-13-7-8-14(9-15(13)10-17-2)16(11-18-3)12-19-4/h6-11,18-19H,2,5,12H2,1,3-4H3/b13-6-,15-10-,16-11+
InChIKeyBJFSZKPHLHJBLN-DDLYTFIZSA-N
MW257.38 g/mol
LogP1.10
Rot. Bonds6

About (Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine

(Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine (PubChem CID 129170413) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine
PubChem CID129170413
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine
SMILESC=N/C=c1/cc(/C(=C/NC)CNC)cc/c1=C/CC
InChIInChI=1S/C16H23N3/c1-5-6-13-7-8-14(9-15(13)10-17-2)16(11-18-3)12-19-4/h6-11,18-19H,2,5,12H2,1,3-4H3/b13-6-,15-10-,16-11+
InChIKeyBJFSZKPHLHJBLN-DDLYTFIZSA-N
XLogP1.10
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine (CID 129170413) is (Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine is C=N/C=c1/cc(/C(=C/NC)CNC)cc/c1=C/CC.
What is the InChIKey of (Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine?
The InChIKey is BJFSZKPHLHJBLN-DDLYTFIZSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-6-13-7-8-14(9-15(13)10-17-2)16(11-18-3)12-19-4/h6-11,18-19H,2,5,12H2,1,3-4H3/b13-6-,15-10-,16-11+.
What are the key properties of (Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine?
(Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine has a molecular weight of 257.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine is sourced from PubChem (CID 129170413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).