1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine

C10H18N2 — CID 91265921

IUPAC1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine
SMILESC=C1N(C)N=CCCCC1(C)C
InChIInChI=1S/C10H18N2/c1-9-10(2,3)7-5-6-8-11-12(9)4/h8H,1,5-7H2,2-4H3
InChIKeyTURLKIZFKODMJE-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.63
Rot. Bonds

About 1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine

1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine (PubChem CID 91265921) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine.

Molecular Properties

Compound Name1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine
PubChem CID91265921
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine
SMILESC=C1N(C)N=CCCCC1(C)C
InChIInChI=1S/C10H18N2/c1-9-10(2,3)7-5-6-8-11-12(9)4/h8H,1,5-7H2,2-4H3
InChIKeyTURLKIZFKODMJE-UHFFFAOYSA-N
XLogP2.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143837467
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CID 91274351
2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine
CID 143837352
4,5,6,7-tetrahydrodiazocine
CID 91529260
acetylene;1,1-dimethyl-2-methylidenecyclohexane
CID 91391286
2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine
CID 142262265
(E)-bis(3,4-dihydropyrazol-2-yl)diazene
CID 140546011
1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine
CID 10081695
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone
CID 114978838
4,4-dimethylspiro[4.5]dec-9-ene
CID 102083414
3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
CID 170149588
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine?
The IUPAC name of 1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine (CID 91265921) is 1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine.
What is the SMILES notation for 1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine?
The canonical SMILES for 1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine is C=C1N(C)N=CCCCC1(C)C.
What is the InChIKey of 1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine?
The InChIKey is TURLKIZFKODMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9-10(2,3)7-5-6-8-11-12(9)4/h8H,1,5-7H2,2-4H3.
What are the key properties of 1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine?
1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine has a molecular weight of 166.27 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-8-methylidene-5,6-dihydro-4H-diazocine is sourced from PubChem (CID 91265921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).