2-N,2-N,5-trimethylazepine-2,5-diamine

C9H15N3 — CID 123646662

IUPAC2-N,2-N,5-trimethylazepine-2,5-diamine
SMILESCN(C)C1=NC=CC(C)(N)C=C1
InChIInChI=1S/C9H15N3/c1-9(10)5-4-8(12(2)3)11-7-6-9/h4-7H,10H2,1-3H3
InChIKeyXDFAUHSDLQXQSD-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.75
Rot. Bonds

About 2-N,2-N,5-trimethylazepine-2,5-diamine

2-N,2-N,5-trimethylazepine-2,5-diamine (PubChem CID 123646662) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-N,2-N,5-trimethylazepine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N,5-trimethylazepine-2,5-diamine
PubChem CID123646662
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-N,2-N,5-trimethylazepine-2,5-diamine
SMILESCN(C)C1=NC=CC(C)(N)C=C1
InChIInChI=1S/C9H15N3/c1-9(10)5-4-8(12(2)3)11-7-6-9/h4-7H,10H2,1-3H3
InChIKeyXDFAUHSDLQXQSD-UHFFFAOYSA-N
XLogP0.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1,5,5-trimethylazepin-2-imine
CID 123171134
5,5-Dimethylazepin-2-amine
CID 123272233
ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen
CID 142116842
N,5-dimethyl-1,4-dihydroazepin-7-imine
CID 142348306
8,8-Dimethylpyrimido[1,2-a]azepine
CID 143862134
1-ethenyl-N,4-dimethyl-4H-azepin-7-imine
CID 145141567
5-Methyl-5-(methylideneamino)azepin-2-amine
CID 147717169
N,5,5-trimethyl-1H-azepin-2-imine
CID 155382402
5-N,5-dimethylazepine-2,5-diamine
CID 163776764
N,N-dimethyl-4H-azepin-7-amine
CID 170070724
5,5-dimethyl-N-propyl-1H-azepin-2-imine
CID 174301745
1-ethenyl-N-methyl-4H-azepin-7-imine
CID 178158313

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,5-trimethylazepine-2,5-diamine?
The IUPAC name of 2-N,2-N,5-trimethylazepine-2,5-diamine (CID 123646662) is 2-N,2-N,5-trimethylazepine-2,5-diamine.
What is the SMILES notation for 2-N,2-N,5-trimethylazepine-2,5-diamine?
The canonical SMILES for 2-N,2-N,5-trimethylazepine-2,5-diamine is CN(C)C1=NC=CC(C)(N)C=C1.
What is the InChIKey of 2-N,2-N,5-trimethylazepine-2,5-diamine?
The InChIKey is XDFAUHSDLQXQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-9(10)5-4-8(12(2)3)11-7-6-9/h4-7H,10H2,1-3H3.
What are the key properties of 2-N,2-N,5-trimethylazepine-2,5-diamine?
2-N,2-N,5-trimethylazepine-2,5-diamine has a molecular weight of 165.24 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,5-trimethylazepine-2,5-diamine is sourced from PubChem (CID 123646662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).