N-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine

C14H24N2 — CID 131991312

IUPACN-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C(/C)C1CN(C)C1)C(C)(C)C
InChIInChI=1S/C14H24N2/c1-11(12-9-16(6)10-12)7-8-13(15-5)14(2,3)4/h7-8,12H,5,9-10H2,1-4,6H3/b11-7+,13-8-
InChIKeyZPWOGGIUIBFFKM-NVGJIZNYSA-N
MW220.36 g/mol
LogP3.12
Rot. Bonds3

About N-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine

N-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine (PubChem CID 131991312) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine
PubChem CID131991312
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C(/C)C1CN(C)C1)C(C)(C)C
InChIInChI=1S/C14H24N2/c1-11(12-9-16(6)10-12)7-8-13(15-5)14(2,3)4/h7-8,12H,5,9-10H2,1-4,6H3/b11-7+,13-8-
InChIKeyZPWOGGIUIBFFKM-NVGJIZNYSA-N
XLogP3.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine (CID 131991312) is N-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine is C=N/C(=C\C=C(/C)C1CN(C)C1)C(C)(C)C.
What is the InChIKey of N-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine?
The InChIKey is ZPWOGGIUIBFFKM-NVGJIZNYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(12-9-16(6)10-12)7-8-13(15-5)14(2,3)4/h7-8,12H,5,9-10H2,1-4,6H3/b11-7+,13-8-.
What are the key properties of N-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine?
N-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine has a molecular weight of 220.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-2,2-dimethyl-6-(1-methylazetidin-3-yl)hepta-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 131991312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).