N,N,3-trimethyl-4H-azepin-7-amine

C9H14N2 — CID 143217510

IUPACN,N,3-trimethyl-4H-azepin-7-amine
SMILESCC1=CN=C(N(C)C)C=CC1
InChIInChI=1S/C9H14N2/c1-8-5-4-6-9(10-7-8)11(2)3/h4,6-7H,5H2,1-3H3
InChIKeyYFPQICXTBAORDC-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.81
Rot. Bonds

About N,N,3-trimethyl-4H-azepin-7-amine

N,N,3-trimethyl-4H-azepin-7-amine (PubChem CID 143217510) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N,N,3-trimethyl-4H-azepin-7-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-4H-azepin-7-amine
PubChem CID143217510
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN,N,3-trimethyl-4H-azepin-7-amine
SMILESCC1=CN=C(N(C)C)C=CC1
InChIInChI=1S/C9H14N2/c1-8-5-4-6-9(10-7-8)11(2)3/h4,6-7H,5H2,1-3H3
InChIKeyYFPQICXTBAORDC-UHFFFAOYSA-N
XLogP1.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium
CID 57589463
N-ethenyl-5-ethyl-1-methylpyridin-2-imine
CID 89142774
3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine
CID 90725962
N,N,3-trimethyl-2,3-dihydropyridin-6-amine
CID 118066584
2-ethenyl-N-methylisoquinolin-3-imine
CID 118303833
1-ethenyl-N,5-dimethylpyridin-2-imine
CID 122691861
N-ethyl-1,5,5-trimethylazepin-2-imine
CID 123171134
N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide
CID 126584530
N,1,5-trimethylpyridin-2-imine
CID 135258651
N,1-bis(ethenyl)-5-methylpyridin-2-imine
CID 139527751
3-methyl-4H-azepin-7-amine
CID 142163247
N,5-dimethyl-1,4-dihydroazepin-7-imine
CID 142348306

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-4H-azepin-7-amine?
The IUPAC name of N,N,3-trimethyl-4H-azepin-7-amine (CID 143217510) is N,N,3-trimethyl-4H-azepin-7-amine.
What is the SMILES notation for N,N,3-trimethyl-4H-azepin-7-amine?
The canonical SMILES for N,N,3-trimethyl-4H-azepin-7-amine is CC1=CN=C(N(C)C)C=CC1.
What is the InChIKey of N,N,3-trimethyl-4H-azepin-7-amine?
The InChIKey is YFPQICXTBAORDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8-5-4-6-9(10-7-8)11(2)3/h4,6-7H,5H2,1-3H3.
What are the key properties of N,N,3-trimethyl-4H-azepin-7-amine?
N,N,3-trimethyl-4H-azepin-7-amine has a molecular weight of 150.22 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-4H-azepin-7-amine is sourced from PubChem (CID 143217510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).