N-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine

C17H29N — CID 146364641

IUPACN-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine
SMILESC=N/C=C(C)\C=C(/CCC(C)C)C1(CCC)CC1
InChIInChI=1S/C17H29N/c1-6-9-17(10-11-17)16(8-7-14(2)3)12-15(4)13-18-5/h12-14H,5-11H2,1-4H3/b15-13-,16-12+
InChIKeyGPMREZXEUNFQKN-CIWNYGNPSA-N
MW247.43 g/mol
LogP5.53
Rot. Bonds8

About N-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine

N-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine (PubChem CID 146364641) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine
PubChem CID146364641
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine
SMILESC=N/C=C(C)\C=C(/CCC(C)C)C1(CCC)CC1
InChIInChI=1S/C17H29N/c1-6-9-17(10-11-17)16(8-7-14(2)3)12-15(4)13-18-5/h12-14H,5-11H2,1-4H3/b15-13-,16-12+
InChIKeyGPMREZXEUNFQKN-CIWNYGNPSA-N
XLogP5.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.53
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-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine (CID 146364641) is N-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine is C=N/C=C(C)\C=C(/CCC(C)C)C1(CCC)CC1.
What is the InChIKey of N-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine?
The InChIKey is GPMREZXEUNFQKN-CIWNYGNPSA-N. The full InChI is InChI=1S/C17H29N/c1-6-9-17(10-11-17)16(8-7-14(2)3)12-15(4)13-18-5/h12-14H,5-11H2,1-4H3/b15-13-,16-12+.
What are the key properties of N-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine?
N-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine has a molecular weight of 247.43 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine is sourced from PubChem (CID 146364641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).