(2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine

C9H15N3 — CID 126599267

IUPAC(2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine
SMILESC/C1=C(N)/C(N)=N\C=C/CC1C
InChIInChI=1S/C9H15N3/c1-6-4-3-5-12-9(11)8(10)7(6)2/h3,5-6H,4,10H2,1-2H3,(H2,11,12)/b5-3-,8-7+
InChIKeyRPGHBBONJSIBQD-ZIQCHISCSA-N
MW165.24 g/mol
LogP1.13
Rot. Bonds

About (2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine

(2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine (PubChem CID 126599267) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine.

Molecular Properties

Compound Name(2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine
PubChem CID126599267
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine
SMILESC/C1=C(N)/C(N)=N\C=C/CC1C
InChIInChI=1S/C9H15N3/c1-6-4-3-5-12-9(11)8(10)7(6)2/h3,5-6H,4,10H2,1-2H3,(H2,11,12)/b5-3-,8-7+
InChIKeyRPGHBBONJSIBQD-ZIQCHISCSA-N
XLogP1.13
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine
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methyl 4-(3-methyl-3,4-dihydropyridin-2-yl)-2,4-dioxobutanoate
CID 163626478
5-methyl-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol
CID 56973738
(3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide
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(4S)-4-methylcyclobuten-1-amine
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1-(2-fluoro-3,4-dihydropyridin-3-yl)-N-methylmethanamine
CID 139419293
5-chloro-2-[(3-methyl-3,4-dihydropyridin-2-yl)amino]phenol
CID 57103399
8-methyl-7,8-dihydroquinazolin-2-amine
CID 130184070
2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde
CID 123830192
1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene
CID 70807045
7,8-dioxa-2-azabicyclo[4.2.0]octa-1,3-diene
CID 140967492

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine?
The IUPAC name of (2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine (CID 126599267) is (2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine.
What is the SMILES notation for (2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine?
The canonical SMILES for (2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine is C/C1=C(N)/C(N)=N\C=C/CC1C.
What is the InChIKey of (2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine?
The InChIKey is RPGHBBONJSIBQD-ZIQCHISCSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-4-3-5-12-9(11)8(10)7(6)2/h3,5-6H,4,10H2,1-2H3,(H2,11,12)/b5-3-,8-7+.
What are the key properties of (2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine?
(2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine has a molecular weight of 165.24 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine is sourced from PubChem (CID 126599267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).