(Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine

C18H35N — CID 123756222

IUPAC(Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine
SMILESCCCC/N=C/C(=C\C(C)C(C)C(C)CC)C(C)C
InChIInChI=1S/C18H35N/c1-8-10-11-19-13-18(14(3)4)12-16(6)17(7)15(5)9-2/h12-17H,8-11H2,1-7H3/b18-12+,19-13+
InChIKeyTZUKDEFTIIMUPD-KLCVKJMQSA-N
MW265.48 g/mol
LogP5.76
Rot. Bonds9

About (Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine

(Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine (PubChem CID 123756222) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is (Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine
PubChem CID123756222
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name(Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine
SMILESCCCC/N=C/C(=C\C(C)C(C)C(C)CC)C(C)C
InChIInChI=1S/C18H35N/c1-8-10-11-19-13-18(14(3)4)12-16(6)17(7)15(5)9-2/h12-17H,8-11H2,1-7H3/b18-12+,19-13+
InChIKeyTZUKDEFTIIMUPD-KLCVKJMQSA-N
XLogP5.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.76
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'}

Analyze (Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine with MolForge

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Related Compounds

(Z)-3-(2,4-dimethylcyclobutyl)-N,2-dimethylprop-2-en-1-imine
CID 68249452
3,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 68344127
2-(3-Methylbutan-2-yl)-1-azacyclododeca-4,8,12-triene
CID 70531114
(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
CID 87981822
N-[(Z)-2,6,6-trimethyl-3-propan-2-ylhept-4-enyl]butan-1-imine
CID 88870595
(Z)-N-butyl-2,5-dimethylhex-2-en-1-imine
CID 88903609
(Z)-N-methyl-2-(2-methylpropyl)pent-2-en-1-imine
CID 90701519
3,5-Diethyl-2-propyl-2,3-dihydropyridine
CID 91005853
5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine
CID 91201172
2-butan-2-yl-2,5-dimethyl-3H-pyridine
CID 91332411
N-methyl-2-(2-methylbutyl)hex-2-en-1-imine
CID 91384576
2,5-dimethyl-2-propyl-3H-pyridine
CID 91420656

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine?
The IUPAC name of (Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine (CID 123756222) is (Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine.
What is the SMILES notation for (Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine?
The canonical SMILES for (Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine is CCCC/N=C/C(=C\C(C)C(C)C(C)CC)C(C)C.
What is the InChIKey of (Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine?
The InChIKey is TZUKDEFTIIMUPD-KLCVKJMQSA-N. The full InChI is InChI=1S/C18H35N/c1-8-10-11-19-13-18(14(3)4)12-16(6)17(7)15(5)9-2/h12-17H,8-11H2,1-7H3/b18-12+,19-13+.
What are the key properties of (Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine?
(Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine has a molecular weight of 265.48 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine is sourced from PubChem (CID 123756222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).