7-propan-2-yl-1H-azepin-2-amine

C9H14N2 — CID 174815984

IUPAC7-propan-2-yl-1H-azepin-2-amine
SMILESCC(C)C1=CC=CC=C(N)N1
InChIInChI=1S/C9H14N2/c1-7(2)8-5-3-4-6-9(10)11-8/h3-7,11H,10H2,1-2H3
InChIKeyYWFFYNBBPZUFBT-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.49
Rot. Bonds1

About 7-propan-2-yl-1H-azepin-2-amine

7-propan-2-yl-1H-azepin-2-amine (PubChem CID 174815984) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 7-propan-2-yl-1H-azepin-2-amine.

Molecular Properties

Compound Name7-propan-2-yl-1H-azepin-2-amine
PubChem CID174815984
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name7-propan-2-yl-1H-azepin-2-amine
SMILESCC(C)C1=CC=CC=C(N)N1
InChIInChI=1S/C9H14N2/c1-7(2)8-5-3-4-6-9(10)11-8/h3-7,11H,10H2,1-2H3
InChIKeyYWFFYNBBPZUFBT-UHFFFAOYSA-N
XLogP1.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1H-azepin-2-amine?
The IUPAC name of 7-propan-2-yl-1H-azepin-2-amine (CID 174815984) is 7-propan-2-yl-1H-azepin-2-amine.
What is the SMILES notation for 7-propan-2-yl-1H-azepin-2-amine?
The canonical SMILES for 7-propan-2-yl-1H-azepin-2-amine is CC(C)C1=CC=CC=C(N)N1.
What is the InChIKey of 7-propan-2-yl-1H-azepin-2-amine?
The InChIKey is YWFFYNBBPZUFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)8-5-3-4-6-9(10)11-8/h3-7,11H,10H2,1-2H3.
What are the key properties of 7-propan-2-yl-1H-azepin-2-amine?
7-propan-2-yl-1H-azepin-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1H-azepin-2-amine is sourced from PubChem (CID 174815984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).