1-(3H-azepin-4-yl)-N,N-dimethylmethanamine

C9H14N2 — CID 142207317

IUPAC1-(3H-azepin-4-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=CC=CN=CC1
InChIInChI=1S/C9H14N2/c1-11(2)8-9-4-3-6-10-7-5-9/h3-4,6-7H,5,8H2,1-2H3
InChIKeyIKXIQOIGRPSURK-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.46
Rot. Bonds2

About 1-(3H-azepin-4-yl)-N,N-dimethylmethanamine

1-(3H-azepin-4-yl)-N,N-dimethylmethanamine (PubChem CID 142207317) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(3H-azepin-4-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3H-azepin-4-yl)-N,N-dimethylmethanamine
PubChem CID142207317
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-(3H-azepin-4-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=CC=CN=CC1
InChIInChI=1S/C9H14N2/c1-11(2)8-9-4-3-6-10-7-5-9/h3-4,6-7H,5,8H2,1-2H3
InChIKeyIKXIQOIGRPSURK-UHFFFAOYSA-N
XLogP1.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-azepin-4-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3H-azepin-4-yl)-N,N-dimethylmethanamine (CID 142207317) is 1-(3H-azepin-4-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3H-azepin-4-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3H-azepin-4-yl)-N,N-dimethylmethanamine is CN(C)CC1=CC=CN=CC1.
What is the InChIKey of 1-(3H-azepin-4-yl)-N,N-dimethylmethanamine?
The InChIKey is IKXIQOIGRPSURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-11(2)8-9-4-3-6-10-7-5-9/h3-4,6-7H,5,8H2,1-2H3.
What are the key properties of 1-(3H-azepin-4-yl)-N,N-dimethylmethanamine?
1-(3H-azepin-4-yl)-N,N-dimethylmethanamine has a molecular weight of 150.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-azepin-4-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 142207317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).