4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene

C15H25N3 — CID 134860258

IUPAC4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene
SMILESCC(C)=CCCC(C)(N=[N+]=[N-])C1CC=C(C)CC1
InChIInChI=1S/C15H25N3/c1-12(2)6-5-11-15(4,17-18-16)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3
InChIKeyILGRHVRVCWIXGK-UHFFFAOYSA-N
MW247.39 g/mol
LogP5.55
Rot. Bonds5

About 4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene

4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene (PubChem CID 134860258) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene.

Molecular Properties

Compound Name4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene
PubChem CID134860258
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene
SMILESCC(C)=CCCC(C)(N=[N+]=[N-])C1CC=C(C)CC1
InChIInChI=1S/C15H25N3/c1-12(2)6-5-11-15(4,17-18-16)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3
InChIKeyILGRHVRVCWIXGK-UHFFFAOYSA-N
XLogP5.55
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.39
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 11390413
3-Cyclohexene-1-methanamine, alpha,alpha,4-trimethyl-
CID 547150
(4R)-4-[(2S)-2-isocyano-6-methylhept-5-en-2-yl]-1-methylcyclohexene
CID 24179110
(S)-2-(4-Methylcyclohex-3-en-1-yl)propan-2-amine
CID 15736831
1-Methyl-4-(propan-2-yl)cyclohex-3-en-1-amine
CID 129834359
(4S)-4-(2-azidopropan-2-yl)-1-methylcyclohexene
CID 135030611
3-Azido-1,3,5,5-tetramethylcyclohexene
CID 4984094
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 14658574
(4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane
CID 134939726
(4S)-4-(2-isocyanopropan-2-yl)-1-methylcyclohexene
CID 164666388
4-(2-Azidopropan-2-yl)-1-methylcyclohex-1-ene
CID 13682007
4-(2-Isocyano-6-methylhept-5-en-2-yl)-1-methylcyclohexene
CID 74051626

Frequently Asked Questions

What is the IUPAC name of 4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene?
The IUPAC name of 4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene (CID 134860258) is 4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene.
What is the SMILES notation for 4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene?
The canonical SMILES for 4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene is CC(C)=CCCC(C)(N=[N+]=[N-])C1CC=C(C)CC1.
What is the InChIKey of 4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene?
The InChIKey is ILGRHVRVCWIXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)6-5-11-15(4,17-18-16)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3.
What are the key properties of 4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene?
4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene has a molecular weight of 247.39 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene is sourced from PubChem (CID 134860258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).