N,6-diethyl-2H-azepin-7-amine;ethene

C12H20N2 — CID 143712976

IUPACN,6-diethyl-2H-azepin-7-amine;ethene
SMILESC=C.CCNC1=NCC=CC=C1CC
InChIInChI=1S/C10H16N2.C2H4/c1-3-9-7-5-6-8-12-10(9)11-4-2;1-2/h5-7H,3-4,8H2,1-2H3,(H,11,12);1-2H2
InChIKeyZXFIOFBJAJDKHQ-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.70
Rot. Bonds2

About N,6-diethyl-2H-azepin-7-amine;ethene

N,6-diethyl-2H-azepin-7-amine;ethene (PubChem CID 143712976) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N,6-diethyl-2H-azepin-7-amine;ethene.

Molecular Properties

Compound NameN,6-diethyl-2H-azepin-7-amine;ethene
PubChem CID143712976
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN,6-diethyl-2H-azepin-7-amine;ethene
SMILESC=C.CCNC1=NCC=CC=C1CC
InChIInChI=1S/C10H16N2.C2H4/c1-3-9-7-5-6-8-12-10(9)11-4-2;1-2/h5-7H,3-4,8H2,1-2H3,(H,11,12);1-2H2
InChIKeyZXFIOFBJAJDKHQ-UHFFFAOYSA-N
XLogP2.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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N-butyl-2,5-dihydropyridin-6-amine
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2-Phenyl-1,4,5,6-tetrahydropyrimidine;yttrium
CID 60071978
(3E,5Z)-N-ethyl-N',3,6,7-tetramethylocta-3,5,7-trienimidamide
CID 89311716
2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole
CID 90077005
6-ethenyl-3-methylidene-5-N-propan-2-ylazepine-2,5-diamine
CID 90126466
7-ethyl-2,3,4,8-tetrahydro-1H-pyrido[2,3-b]azepine
CID 91251223
N'-methyl-N-(3-methylhex-3-enyl)propanimidamide
CID 91334191
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide
CID 123185969
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
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Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-2H-azepin-7-amine;ethene?
The IUPAC name of N,6-diethyl-2H-azepin-7-amine;ethene (CID 143712976) is N,6-diethyl-2H-azepin-7-amine;ethene.
What is the SMILES notation for N,6-diethyl-2H-azepin-7-amine;ethene?
The canonical SMILES for N,6-diethyl-2H-azepin-7-amine;ethene is C=C.CCNC1=NCC=CC=C1CC.
What is the InChIKey of N,6-diethyl-2H-azepin-7-amine;ethene?
The InChIKey is ZXFIOFBJAJDKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C2H4/c1-3-9-7-5-6-8-12-10(9)11-4-2;1-2/h5-7H,3-4,8H2,1-2H3,(H,11,12);1-2H2.
What are the key properties of N,6-diethyl-2H-azepin-7-amine;ethene?
N,6-diethyl-2H-azepin-7-amine;ethene has a molecular weight of 192.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-2H-azepin-7-amine;ethene is sourced from PubChem (CID 143712976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).