ethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine

C14H26N2 — CID 144819756

IUPACethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine
SMILESC/C=C\C1=C(/N=C\C)NCCC(C)C1.CC
InChIInChI=1S/C12H20N2.C2H6/c1-4-6-11-9-10(3)7-8-14-12(11)13-5-2;1-2/h4-6,10,14H,7-9H2,1-3H3;1-2H3/b6-4-,13-5-;
InChIKeyBNGSEGDNHPDBIQ-DUMMCLAPSA-N
MW222.38 g/mol
LogP3.91
Rot. Bonds2

About ethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine

ethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine (PubChem CID 144819756) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is ethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine.

Molecular Properties

Compound Nameethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine
PubChem CID144819756
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Nameethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine
SMILESC/C=C\C1=C(/N=C\C)NCCC(C)C1.CC
InChIInChI=1S/C12H20N2.C2H6/c1-4-6-11-9-10(3)7-8-14-12(11)13-5-2;1-2/h4-6,10,14H,7-9H2,1-3H3;1-2H3/b6-4-,13-5-;
InChIKeyBNGSEGDNHPDBIQ-DUMMCLAPSA-N
XLogP3.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine?
The IUPAC name of ethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine (CID 144819756) is ethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine.
What is the SMILES notation for ethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine?
The canonical SMILES for ethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine is C/C=C\C1=C(/N=C\C)NCCC(C)C1.CC.
What is the InChIKey of ethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine?
The InChIKey is BNGSEGDNHPDBIQ-DUMMCLAPSA-N. The full InChI is InChI=1S/C12H20N2.C2H6/c1-4-6-11-9-10(3)7-8-14-12(11)13-5-2;1-2/h4-6,10,14H,7-9H2,1-3H3;1-2H3/b6-4-,13-5-;.
What are the key properties of ethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine?
ethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine has a molecular weight of 222.38 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-[4-methyl-6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-azepin-7-yl]ethanimine is sourced from PubChem (CID 144819756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).