1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine

C9H16N2 — CID 163586253

IUPAC1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine
SMILESCC1=CCCCN(C)C(N)=C1
InChIInChI=1S/C9H16N2/c1-8-5-3-4-6-11(2)9(10)7-8/h5,7H,3-4,6,10H2,1-2H3
InChIKeyGLSOOWVEGWPOAW-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.46
Rot. Bonds

About 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine

1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine (PubChem CID 163586253) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine.

Molecular Properties

Compound Name1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine
PubChem CID163586253
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine
SMILESCC1=CCCCN(C)C(N)=C1
InChIInChI=1S/C9H16N2/c1-8-5-3-4-6-11(2)9(10)7-8/h5,7H,3-4,6,10H2,1-2H3
InChIKeyGLSOOWVEGWPOAW-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130347219
(1Z)-1-N,1-N,1-N',3-tetramethyl-1-N'-pent-4-enylpenta-1,3-diene-1,1-diamine
CID 132182837
N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine
CID 143109925
N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine
CID 143110117
ethane;(1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine
CID 143178458
N,1-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-5-amine
CID 143469011
1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine
CID 167066607
(1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine
CID 167223883
ethane;(1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine;prop-1-ene
CID 176678326
ethane;(1E,3Z)-1-N'-ethyl-4-methyl-1-N'-propylhexa-1,3-diene-1,1-diamine
CID 177982884
(1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine
CID 143178459
(E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine
CID 143852280

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine?
The IUPAC name of 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine (CID 163586253) is 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine.
What is the SMILES notation for 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine?
The canonical SMILES for 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine is CC1=CCCCN(C)C(N)=C1.
What is the InChIKey of 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine?
The InChIKey is GLSOOWVEGWPOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-5-3-4-6-11(2)9(10)7-8/h5,7H,3-4,6,10H2,1-2H3.
What are the key properties of 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine?
1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine has a molecular weight of 152.24 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine is sourced from PubChem (CID 163586253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).