N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine

C16H23N — CID 129035115

IUPACN-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine
SMILESC=C(/C=C\C=C/CC1(C)CC1C)C(=C)/N=C/C
InChIInChI=1S/C16H23N/c1-6-17-15(4)13(2)10-8-7-9-11-16(5)12-14(16)3/h6-10,14H,2,4,11-12H2,1,3,5H3/b9-7-,10-8-,17-6+
InChIKeyBUEKAQBCFRUQBJ-AWYOFUELSA-N
MW229.37 g/mol
LogP4.70
Rot. Bonds6

About N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine

N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine (PubChem CID 129035115) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine
PubChem CID129035115
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine
SMILESC=C(/C=C\C=C/CC1(C)CC1C)C(=C)/N=C/C
InChIInChI=1S/C16H23N/c1-6-17-15(4)13(2)10-8-7-9-11-16(5)12-14(16)3/h6-10,14H,2,4,11-12H2,1,3,5H3/b9-7-,10-8-,17-6+
InChIKeyBUEKAQBCFRUQBJ-AWYOFUELSA-N
XLogP4.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.70
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-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine?
The IUPAC name of N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine (CID 129035115) is N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine.
What is the SMILES notation for N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine?
The canonical SMILES for N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine is C=C(/C=C\C=C/CC1(C)CC1C)C(=C)/N=C/C.
What is the InChIKey of N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine?
The InChIKey is BUEKAQBCFRUQBJ-AWYOFUELSA-N. The full InChI is InChI=1S/C16H23N/c1-6-17-15(4)13(2)10-8-7-9-11-16(5)12-14(16)3/h6-10,14H,2,4,11-12H2,1,3,5H3/b9-7-,10-8-,17-6+.
What are the key properties of N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine?
N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine has a molecular weight of 229.37 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine is sourced from PubChem (CID 129035115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).