6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine

C14H24N2 — CID 90748347

IUPAC6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine
SMILES[H]/N=C1\CC(C)(C)CC=C\C1=N/CCC(C)C
InChIInChI=1S/C14H24N2/c1-11(2)7-9-16-13-6-5-8-14(3,4)10-12(13)15/h5-6,11,15H,7-10H2,1-4H3/b15-12+,16-13+
InChIKeySSHVCLUDARRBLK-WSGPNKEYSA-N
MW220.36 g/mol
LogP3.87
Rot. Bonds3

About 6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine

6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine (PubChem CID 90748347) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine.

Molecular Properties

Compound Name6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine
PubChem CID90748347
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine
SMILES[H]/N=C1\CC(C)(C)CC=C\C1=N/CCC(C)C
InChIInChI=1S/C14H24N2/c1-11(2)7-9-16-13-6-5-8-14(3,4)10-12(13)15/h5-6,11,15H,7-10H2,1-4H3/b15-12+,16-13+
InChIKeySSHVCLUDARRBLK-WSGPNKEYSA-N
XLogP3.87
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
6-tert-butyl-5-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 20752812
7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine
CID 90924955
3,3,11,11-Tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene
CID 90959897
4,4,5-trimethyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-pyridine
CID 91138716
2-ethanimidoyl-3-N-(3-methylbutan-2-yl)cyclohept-4-ene-1,3-diimine
CID 91598868
5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine
CID 123403001
(Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine
CID 123936136
1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine
CID 138539128
5-(6-Tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine
CID 139498145
6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine
CID 145217686
3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine
CID 166663027

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine?
The IUPAC name of 6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine (CID 90748347) is 6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine.
What is the SMILES notation for 6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine?
The canonical SMILES for 6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine is [H]/N=C1\CC(C)(C)CC=C\C1=N/CCC(C)C.
What is the InChIKey of 6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine?
The InChIKey is SSHVCLUDARRBLK-WSGPNKEYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)7-9-16-13-6-5-8-14(3,4)10-12(13)15/h5-6,11,15H,7-10H2,1-4H3/b15-12+,16-13+.
What are the key properties of 6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine?
6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine has a molecular weight of 220.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine is sourced from PubChem (CID 90748347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).