1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine

C11H18N2 — CID 134406833

IUPAC1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine
SMILESCC1=CCC=C(CN(C)C)C(C)=N1
InChIInChI=1S/C11H18N2/c1-9-6-5-7-11(8-13(3)4)10(2)12-9/h6-7H,5,8H2,1-4H3
InChIKeyPWDMUKLYXHQYOM-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.24
Rot. Bonds2

About 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine

1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine (PubChem CID 134406833) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine
PubChem CID134406833
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine
SMILESCC1=CCC=C(CN(C)C)C(C)=N1
InChIInChI=1S/C11H18N2/c1-9-6-5-7-11(8-13(3)4)10(2)12-9/h6-7H,5,8H2,1-4H3
InChIKeyPWDMUKLYXHQYOM-UHFFFAOYSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine (CID 134406833) is 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine is CC1=CCC=C(CN(C)C)C(C)=N1.
What is the InChIKey of 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine?
The InChIKey is PWDMUKLYXHQYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-6-5-7-11(8-13(3)4)10(2)12-9/h6-7H,5,8H2,1-4H3.
What are the key properties of 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine?
1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine has a molecular weight of 178.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethyl-4H-azepin-6-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 134406833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).