N-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine

C15H29N — CID 90817917

IUPACN-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine
SMILESC=NC(CC(C)(C)CC)C(C)CCC(=C)C
InChIInChI=1S/C15H29N/c1-8-15(5,6)11-14(16-7)13(4)10-9-12(2)3/h13-14H,2,7-11H2,1,3-6H3
InChIKeyMMXFQQJBTMKCAW-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.87
Rot. Bonds8

About N-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine

N-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine (PubChem CID 90817917) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine.

Molecular Properties

Compound NameN-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine
PubChem CID90817917
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine
SMILESC=NC(CC(C)(C)CC)C(C)CCC(=C)C
InChIInChI=1S/C15H29N/c1-8-15(5,6)11-14(16-7)13(4)10-9-12(2)3/h13-14H,2,7-11H2,1,3-6H3
InChIKeyMMXFQQJBTMKCAW-UHFFFAOYSA-N
XLogP4.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.87
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine?
The IUPAC name of N-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine (CID 90817917) is N-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine.
What is the SMILES notation for N-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine?
The canonical SMILES for N-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine is C=NC(CC(C)(C)CC)C(C)CCC(=C)C.
What is the InChIKey of N-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine?
The InChIKey is MMXFQQJBTMKCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-8-15(5,6)11-14(16-7)13(4)10-9-12(2)3/h13-14H,2,7-11H2,1,3-6H3.
What are the key properties of N-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine?
N-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine has a molecular weight of 223.40 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,6,9-tetramethyldec-9-en-5-yl)methanimine is sourced from PubChem (CID 90817917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).