N-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine

C8H16N2 — CID 57073429

IUPACN-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCCNC1=NCCCCC1
InChIInChI=1S/C8H16N2/c1-2-9-8-6-4-3-5-7-10-8/h2-7H2,1H3,(H,9,10)
InChIKeyYSONAXOCZRTSRI-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.57
Rot. Bonds1

About N-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 57073429) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID57073429
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCCNC1=NCCCCC1
InChIInChI=1S/C8H16N2/c1-2-9-8-6-4-3-5-7-10-8/h2-7H2,1H3,(H,9,10)
InChIKeyYSONAXOCZRTSRI-UHFFFAOYSA-N
XLogP1.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 57073429) is N-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is CCNC1=NCCCCC1.
What is the InChIKey of N-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is YSONAXOCZRTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-9-8-6-4-3-5-7-10-8/h2-7H2,1H3,(H,9,10).
What are the key properties of N-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 140.23 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 57073429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).