6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine

C16H31N — CID 91135805

IUPAC6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine
SMILES[H]/N=C(\CC)C(C)C(C)C(=C(C)CC)C(C)(C)C
InChIInChI=1S/C16H31N/c1-9-11(3)15(16(6,7)8)13(5)12(4)14(17)10-2/h12-13,17H,9-10H2,1-8H3/b15-11?,17-14+
InChIKeyWIDADYHWYBGJQZ-QLMHMOMQSA-N
MW237.43 g/mol
LogP5.46
Rot. Bonds5

About 6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine

6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine (PubChem CID 91135805) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine.

Molecular Properties

Compound Name6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine
PubChem CID91135805
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine
SMILES[H]/N=C(\CC)C(C)C(C)C(=C(C)CC)C(C)(C)C
InChIInChI=1S/C16H31N/c1-9-11(3)15(16(6,7)8)13(5)12(4)14(17)10-2/h12-13,17H,9-10H2,1-8H3/b15-11?,17-14+
InChIKeyWIDADYHWYBGJQZ-QLMHMOMQSA-N
XLogP5.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.46
H-Bond Donors ≤ 51
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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Related Compounds

2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105
(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 87279106
4-(2-Methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
CID 89084617
4-(2,6,6-Trimethylcyclohexen-1-yl)butan-2-imine
CID 89084634
4-Ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine
CID 90813962
2,2,3,4,5-Pentamethylcyclopent-3-en-1-imine
CID 90908321
2,3,4,5,5-Pentamethylcyclopent-2-en-1-imine
CID 91273263
6-Methyl-2-(1-methyl-2-propan-2-ylcyclopropyl)cyclohept-2-en-1-imine
CID 91447041
3,7,8,10-Tetramethyldodec-9-en-4-imine
CID 91500026
(4aR)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,7-hexahydronaphthalen-2-imine
CID 117613139
6-ethyl-5-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-imine
CID 117807390

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine?
The IUPAC name of 6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine (CID 91135805) is 6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine.
What is the SMILES notation for 6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine?
The canonical SMILES for 6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine is [H]/N=C(\CC)C(C)C(C)C(=C(C)CC)C(C)(C)C.
What is the InChIKey of 6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine?
The InChIKey is WIDADYHWYBGJQZ-QLMHMOMQSA-N. The full InChI is InChI=1S/C16H31N/c1-9-11(3)15(16(6,7)8)13(5)12(4)14(17)10-2/h12-13,17H,9-10H2,1-8H3/b15-11?,17-14+.
What are the key properties of 6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine?
6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine has a molecular weight of 237.43 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4,5,7-trimethylnon-6-en-3-imine is sourced from PubChem (CID 91135805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).