2H-azepin-5-ylmethanamine

C7H10N2 — CID 91465230

IUPAC2H-azepin-5-ylmethanamine
SMILESNCC1=CC=NCC=C1
InChIInChI=1S/C7H10N2/c8-6-7-2-1-4-9-5-3-7/h1-3,5H,4,6,8H2
InChIKeyNWOKPDHTJDKLPN-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.51
Rot. Bonds1

About 2H-azepin-5-ylmethanamine

2H-azepin-5-ylmethanamine (PubChem CID 91465230) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2H-azepin-5-ylmethanamine.

Molecular Properties

Compound Name2H-azepin-5-ylmethanamine
PubChem CID91465230
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2H-azepin-5-ylmethanamine
SMILESNCC1=CC=NCC=C1
InChIInChI=1S/C7H10N2/c8-6-7-2-1-4-9-5-3-7/h1-3,5H,4,6,8H2
InChIKeyNWOKPDHTJDKLPN-UHFFFAOYSA-N
XLogP0.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2E)-10-(dimethylamino)-3,7-dimethyldeca-2,4,6,8-tetraenylidene]-methylazanium
CID 53867949
3H-pyridin-1-ium-5-ylmethanamine
CID 57056736
2H-pyridin-3-ylidenemethanamine
CID 67496117
5-methyl-2H-azepine
CID 68207866
3-methylidene-2H-pyridin-2-amine
CID 68545375
(E)-2H-pyridin-3-ylidenemethanamine
CID 70073427
4-methyl-2H-azepine
CID 70312301
(2Z)-4-methylidenehexa-2,5-dien-1-imine
CID 88918500
(E)-2-ethenyl-4-methyliminobut-2-en-1-amine
CID 89185830
(Z)-5-imino-2-methylidenepent-3-en-1-amine
CID 89199494
2,3-Dihydropyridin-4-ylmethanamine
CID 90137212
(Z,2E)-N-methyl-2-(2-methyliminoethylidene)pent-3-en-1-amine
CID 117904339

Frequently Asked Questions

What is the IUPAC name of 2H-azepin-5-ylmethanamine?
The IUPAC name of 2H-azepin-5-ylmethanamine (CID 91465230) is 2H-azepin-5-ylmethanamine.
What is the SMILES notation for 2H-azepin-5-ylmethanamine?
The canonical SMILES for 2H-azepin-5-ylmethanamine is NCC1=CC=NCC=C1.
What is the InChIKey of 2H-azepin-5-ylmethanamine?
The InChIKey is NWOKPDHTJDKLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c8-6-7-2-1-4-9-5-3-7/h1-3,5H,4,6,8H2.
What are the key properties of 2H-azepin-5-ylmethanamine?
2H-azepin-5-ylmethanamine has a molecular weight of 122.17 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-azepin-5-ylmethanamine is sourced from PubChem (CID 91465230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).