N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine

C16H25N — CID 146240114

IUPACN-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine
SMILESC=C(C)C(=C/C(C)/C(=C\CC)C1CC1)/N=C/C
InChIInChI=1S/C16H25N/c1-6-8-15(14-9-10-14)13(5)11-16(12(3)4)17-7-2/h7-8,11,13-14H,3,6,9-10H2,1-2,4-5H3/b15-8+,16-11-,17-7+
InChIKeyCBGAEZOMNFECED-ZMWOQQFDSA-N
MW231.38 g/mol
LogP4.92
Rot. Bonds6

About N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine

N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine (PubChem CID 146240114) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine
PubChem CID146240114
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine
SMILESC=C(C)C(=C/C(C)/C(=C\CC)C1CC1)/N=C/C
InChIInChI=1S/C16H25N/c1-6-8-15(14-9-10-14)13(5)11-16(12(3)4)17-7-2/h7-8,11,13-14H,3,6,9-10H2,1-2,4-5H3/b15-8+,16-11-,17-7+
InChIKeyCBGAEZOMNFECED-ZMWOQQFDSA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine?
The IUPAC name of N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine (CID 146240114) is N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine.
What is the SMILES notation for N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine?
The canonical SMILES for N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine is C=C(C)C(=C/C(C)/C(=C\CC)C1CC1)/N=C/C.
What is the InChIKey of N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine?
The InChIKey is CBGAEZOMNFECED-ZMWOQQFDSA-N. The full InChI is InChI=1S/C16H25N/c1-6-8-15(14-9-10-14)13(5)11-16(12(3)4)17-7-2/h7-8,11,13-14H,3,6,9-10H2,1-2,4-5H3/b15-8+,16-11-,17-7+.
What are the key properties of N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine?
N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine has a molecular weight of 231.38 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine is sourced from PubChem (CID 146240114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).