N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine

C12H20N2 — CID 164927018

IUPACN-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C(\C)C1CNC1)C(C)C
InChIInChI=1S/C12H20N2/c1-9(2)12(13-4)6-5-10(3)11-7-14-8-11/h5-6,9,11,14H,4,7-8H2,1-3H3/b10-5-,12-6-
InChIKeyDKTOKWGFRWTRET-ZIIBAIFASA-N
MW192.31 g/mol
LogP2.39
Rot. Bonds4

About N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine

N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine (PubChem CID 164927018) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine
PubChem CID164927018
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C(\C)C1CNC1)C(C)C
InChIInChI=1S/C12H20N2/c1-9(2)12(13-4)6-5-10(3)11-7-14-8-11/h5-6,9,11,14H,4,7-8H2,1-3H3/b10-5-,12-6-
InChIKeyDKTOKWGFRWTRET-ZIIBAIFASA-N
XLogP2.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
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

3-(Azetidin-3-yl)-6-methyl-1,2-dihydropyridine
CID 118423118
2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine
CID 123170118
N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine
CID 123671371
N-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine
CID 131991312
N-[(2Z,4E)-6-(azetidin-3-yl)-5-methylhexa-2,4-dien-2-yl]methanimine
CID 132180455
(Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine
CID 142375473
(4E,6Z)-N,4-dimethyl-7-(methylideneamino)octa-4,6-dien-1-amine
CID 167071290
N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine
CID 167486130
(4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine
CID 170971963
(2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine
CID 142236043

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine (CID 164927018) is N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine is C=N/C(=C\C=C(\C)C1CNC1)C(C)C.
What is the InChIKey of N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine?
The InChIKey is DKTOKWGFRWTRET-ZIIBAIFASA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)12(13-4)6-5-10(3)11-7-14-8-11/h5-6,9,11,14H,4,7-8H2,1-3H3/b10-5-,12-6-.
What are the key properties of N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine?
N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine has a molecular weight of 192.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 164927018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).