3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine

C9H14N2 — CID 123487505

IUPAC3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine
SMILESC=C1C=C(C)CC(C)C(N)=N1
InChIInChI=1S/C9H14N2/c1-6-4-7(2)9(10)11-8(3)5-6/h5,7H,3-4H2,1-2H3,(H2,10,11)
InChIKeyYJMLUYPXYHCRNC-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.84
Rot. Bonds

About 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine

3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine (PubChem CID 123487505) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine.

Molecular Properties

Compound Name3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine
PubChem CID123487505
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine
SMILESC=C1C=C(C)CC(C)C(N)=N1
InChIInChI=1S/C9H14N2/c1-6-4-7(2)9(10)11-8(3)5-6/h5,7H,3-4H2,1-2H3,(H2,10,11)
InChIKeyYJMLUYPXYHCRNC-UHFFFAOYSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine
CID 89199424
5,6-dimethyl-4-methylidene-3H-pyridin-2-amine
CID 89351277
N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide
CID 91142648
3,5-Diethyl-7-methylidene-3,4-dihydroazepin-2-amine
CID 91324538
2-cyclopropyl-N'-(2,5-dimethylcyclohepta-1,4,6-trien-1-yl)ethanimidamide
CID 123384481
4-ethenyl-7-[(1E,3Z)-2-(4-ethenylcyclohexa-1,5-dien-1-yl)penta-1,3-dienyl]-3H-azepin-2-amine
CID 129058528
4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide
CID 134225126
2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide
CID 138567426
(5E)-4-methylidene-5-pentylidene-3H-pyrrol-2-amine
CID 141911912
N'-[(3Z)-hexa-1,3-dien-2-yl]-2,3-dimethylpentanimidamide
CID 146281476
2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide
CID 155015059
2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide
CID 155274497

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine?
The IUPAC name of 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine (CID 123487505) is 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine.
What is the SMILES notation for 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine?
The canonical SMILES for 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine is C=C1C=C(C)CC(C)C(N)=N1.
What is the InChIKey of 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine?
The InChIKey is YJMLUYPXYHCRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6-4-7(2)9(10)11-8(3)5-6/h5,7H,3-4H2,1-2H3,(H2,10,11).
What are the key properties of 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine?
3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-7-methylidene-3,4-dihydroazepin-2-amine is sourced from PubChem (CID 123487505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).