5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine

C8H16N2 — CID 18428447

IUPAC5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine
SMILESCC1(C)CCCN=C(N)C1
InChIInChI=1S/C8H16N2/c1-8(2)4-3-5-10-7(9)6-8/h3-6H2,1-2H3,(H2,9,10)
InChIKeyCNQGXPNGXYGVSC-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.55
Rot. Bonds

About 5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine

5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine (PubChem CID 18428447) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine.

Molecular Properties

Compound Name5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine
PubChem CID18428447
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine
SMILESCC1(C)CCCN=C(N)C1
InChIInChI=1S/C8H16N2/c1-8(2)4-3-5-10-7(9)6-8/h3-6H2,1-2H3,(H2,9,10)
InChIKeyCNQGXPNGXYGVSC-UHFFFAOYSA-N
XLogP1.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-piperidin-(2Z)-ylideneamine
CID 10630842
hexahydro-5-methyl-1H-azepin-2-imine, monohydrochloride
CID 45259654
3-ethyl-hexahydro-1H-azepin-2-imine, monohydrochloride
CID 45259677
4-Propyl-piperidin-(2Z)-ylideneamine
CID 10655660
5-Methyl-azepan-(2Z)-ylideneamine; hydrochloride
CID 10630840
3,3-Dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine
CID 10631308
3-Ethyl-azepan-(2Z)-ylideneamine; hydrochloride
CID 10773629
2H-Azepin-7-amine,3,4,5,6-tetrahydro-3-methyl-,(3R)-(9CI)
CID 10797080
3-Butan-2-yl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine
CID 18983363
3-Tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine
CID 18983451
N'-(2-fluoroethyl)-4,4-dimethylpentanimidamide
CID 59192968
N'-(4,4-dimethylpentyl)-2-fluoroethanimidamide
CID 59463900

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine?
The IUPAC name of 5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine (CID 18428447) is 5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine.
What is the SMILES notation for 5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine?
The canonical SMILES for 5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine is CC1(C)CCCN=C(N)C1.
What is the InChIKey of 5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine?
The InChIKey is CNQGXPNGXYGVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2)4-3-5-10-7(9)6-8/h3-6H2,1-2H3,(H2,9,10).
What are the key properties of 5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine?
5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine has a molecular weight of 140.23 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2,3,4,6-tetrahydroazepin-7-amine is sourced from PubChem (CID 18428447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).