N-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine

C15H29N — CID 138641796

IUPACN-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine
SMILESC=NCC(CCC)C(C)(C)C(C)(C)C(=C)C
InChIInChI=1S/C15H29N/c1-9-10-13(11-16-8)15(6,7)14(4,5)12(2)3/h13H,2,8-11H2,1,3-7H3
InChIKeyZDXABEDLEHBWOG-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.73
Rot. Bonds7

About N-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine

N-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine (PubChem CID 138641796) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine.

Molecular Properties

Compound NameN-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine
PubChem CID138641796
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine
SMILESC=NCC(CCC)C(C)(C)C(C)(C)C(=C)C
InChIInChI=1S/C15H29N/c1-9-10-13(11-16-8)15(6,7)14(4,5)12(2)3/h13H,2,8-11H2,1,3-7H3
InChIKeyZDXABEDLEHBWOG-UHFFFAOYSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.73
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-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine?
The IUPAC name of N-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine (CID 138641796) is N-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine.
What is the SMILES notation for N-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine?
The canonical SMILES for N-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine is C=NCC(CCC)C(C)(C)C(C)(C)C(=C)C.
What is the InChIKey of N-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine?
The InChIKey is ZDXABEDLEHBWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-9-10-13(11-16-8)15(6,7)14(4,5)12(2)3/h13H,2,8-11H2,1,3-7H3.
What are the key properties of N-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine?
N-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine has a molecular weight of 223.40 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,4,4,5-pentamethyl-2-propylhex-5-enyl)methanimine is sourced from PubChem (CID 138641796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).