N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine

C23H45N — CID 126641636

IUPACN-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine
SMILESC=NC(CC(C)(C)/C=C(/C)C(C)CC)[C@H](C)CC(C)CCCCC
InChIInChI=1S/C23H45N/c1-10-12-13-14-18(3)15-20(5)22(24-9)17-23(7,8)16-21(6)19(4)11-2/h16,18-20,22H,9-15,17H2,1-8H3/b21-16-/t18?,19?,20-,22?/m1/s1
InChIKeyDPSAONAQGPGROR-AQSQCLFDSA-N
MW335.62 g/mol
LogP7.71
Rot. Bonds13

About N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine

N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine (PubChem CID 126641636) has the molecular formula C23H45N and a molecular weight of 335.62 g/mol. Its IUPAC name is N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine.

Molecular Properties

Compound NameN-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine
PubChem CID126641636
Molecular FormulaC23H45N
Molecular Weight335.62 g/mol
Exact Mass335.36
IUPAC NameN-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine
SMILESC=NC(CC(C)(C)/C=C(/C)C(C)CC)[C@H](C)CC(C)CCCCC
InChIInChI=1S/C23H45N/c1-10-12-13-14-18(3)15-20(5)22(24-9)17-23(7,8)16-21(6)19(4)11-2/h16,18-20,22H,9-15,17H2,1-8H3/b21-16-/t18?,19?,20-,22?/m1/s1
InChIKeyDPSAONAQGPGROR-AQSQCLFDSA-N
XLogP7.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine?
The IUPAC name of N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine (CID 126641636) is N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine.
What is the SMILES notation for N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine?
The canonical SMILES for N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine is C=NC(CC(C)(C)/C=C(/C)C(C)CC)[C@H](C)CC(C)CCCCC.
What is the InChIKey of N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine?
The InChIKey is DPSAONAQGPGROR-AQSQCLFDSA-N. The full InChI is InChI=1S/C23H45N/c1-10-12-13-14-18(3)15-20(5)22(24-9)17-23(7,8)16-21(6)19(4)11-2/h16,18-20,22H,9-15,17H2,1-8H3/b21-16-/t18?,19?,20-,22?/m1/s1.
What are the key properties of N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine?
N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine has a molecular weight of 335.62 g/mol, XLogP of 7.71, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine is sourced from PubChem (CID 126641636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).