N,N,4-trimethylazepin-4-amine

C9H14N2 — CID 144888138

IUPACN,N,4-trimethylazepin-4-amine
SMILESCN(C)C1(C)C=CC=NC=C1
InChIInChI=1S/C9H14N2/c1-9(11(2)3)5-4-7-10-8-6-9/h4-8H,1-3H3
InChIKeyQHHTWVACUUTZBS-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.46
Rot. Bonds1

About N,N,4-trimethylazepin-4-amine

N,N,4-trimethylazepin-4-amine (PubChem CID 144888138) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N,N,4-trimethylazepin-4-amine.

Molecular Properties

Compound NameN,N,4-trimethylazepin-4-amine
PubChem CID144888138
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN,N,4-trimethylazepin-4-amine
SMILESCN(C)C1(C)C=CC=NC=C1
InChIInChI=1S/C9H14N2/c1-9(11(2)3)5-4-7-10-8-6-9/h4-8H,1-3H3
InChIKeyQHHTWVACUUTZBS-UHFFFAOYSA-N
XLogP1.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 N,N,4-trimethylazepin-4-amine?
The IUPAC name of N,N,4-trimethylazepin-4-amine (CID 144888138) is N,N,4-trimethylazepin-4-amine.
What is the SMILES notation for N,N,4-trimethylazepin-4-amine?
The canonical SMILES for N,N,4-trimethylazepin-4-amine is CN(C)C1(C)C=CC=NC=C1.
What is the InChIKey of N,N,4-trimethylazepin-4-amine?
The InChIKey is QHHTWVACUUTZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-9(11(2)3)5-4-7-10-8-6-9/h4-8H,1-3H3.
What are the key properties of N,N,4-trimethylazepin-4-amine?
N,N,4-trimethylazepin-4-amine has a molecular weight of 150.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethylazepin-4-amine is sourced from PubChem (CID 144888138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).