N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine

C15H21N — CID 130317733

IUPACN-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine
SMILESC=C/C=C(\C=C(\C)CC)C(=C\C=C/C)/N=C
InChIInChI=1S/C15H21N/c1-6-9-11-15(16-5)14(10-7-2)12-13(4)8-3/h6-7,9-12H,2,5,8H2,1,3-4H3/b9-6-,13-12-,14-10+,15-11-
InChIKeyQQROZHMCQGMJJG-LGRDJRGSSA-N
MW215.34 g/mol
LogP4.62
Rot. Bonds6

About N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine

N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine (PubChem CID 130317733) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine
PubChem CID130317733
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine
SMILESC=C/C=C(\C=C(\C)CC)C(=C\C=C/C)/N=C
InChIInChI=1S/C15H21N/c1-6-9-11-15(16-5)14(10-7-2)12-13(4)8-3/h6-7,9-12H,2,5,8H2,1,3-4H3/b9-6-,13-12-,14-10+,15-11-
InChIKeyQQROZHMCQGMJJG-LGRDJRGSSA-N
XLogP4.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine?
The IUPAC name of N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine (CID 130317733) is N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine.
What is the SMILES notation for N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine?
The canonical SMILES for N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine is C=C/C=C(\C=C(\C)CC)C(=C\C=C/C)/N=C.
What is the InChIKey of N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine?
The InChIKey is QQROZHMCQGMJJG-LGRDJRGSSA-N. The full InChI is InChI=1S/C15H21N/c1-6-9-11-15(16-5)14(10-7-2)12-13(4)8-3/h6-7,9-12H,2,5,8H2,1,3-4H3/b9-6-,13-12-,14-10+,15-11-.
What are the key properties of N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine?
N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine has a molecular weight of 215.34 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine is sourced from PubChem (CID 130317733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).