5,6-dihydro-2H-azepin-3-amine

C6H10N2 — CID 135243865

IUPAC5,6-dihydro-2H-azepin-3-amine
SMILESNC1=CCCC=NC1
InChIInChI=1S/C6H10N2/c7-6-3-1-2-4-8-5-6/h3-4H,1-2,5,7H2
InChIKeyMKFVAGZZCGSKJV-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.69
Rot. Bonds

About 5,6-dihydro-2H-azepin-3-amine

5,6-dihydro-2H-azepin-3-amine (PubChem CID 135243865) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 5,6-dihydro-2H-azepin-3-amine.

Molecular Properties

Compound Name5,6-dihydro-2H-azepin-3-amine
PubChem CID135243865
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name5,6-dihydro-2H-azepin-3-amine
SMILESNC1=CCCC=NC1
InChIInChI=1S/C6H10N2/c7-6-3-1-2-4-8-5-6/h3-4H,1-2,5,7H2
InChIKeyMKFVAGZZCGSKJV-UHFFFAOYSA-N
XLogP0.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-2H-azepin-3-amine?
The IUPAC name of 5,6-dihydro-2H-azepin-3-amine (CID 135243865) is 5,6-dihydro-2H-azepin-3-amine.
What is the SMILES notation for 5,6-dihydro-2H-azepin-3-amine?
The canonical SMILES for 5,6-dihydro-2H-azepin-3-amine is NC1=CCCC=NC1.
What is the InChIKey of 5,6-dihydro-2H-azepin-3-amine?
The InChIKey is MKFVAGZZCGSKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-6-3-1-2-4-8-5-6/h3-4H,1-2,5,7H2.
What are the key properties of 5,6-dihydro-2H-azepin-3-amine?
5,6-dihydro-2H-azepin-3-amine has a molecular weight of 110.16 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-2H-azepin-3-amine is sourced from PubChem (CID 135243865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).