ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine

C20H38N2 — CID 144812822

IUPACethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine
SMILESCC.CC.CCC1(C)C=C/C(=N\C)N(/C=C\CC(C)C)C=C1
InChIInChI=1S/C16H26N2.2C2H6/c1-6-16(4)10-9-15(17-5)18(13-11-16)12-7-8-14(2)3;2*1-2/h7,9-14H,6,8H2,1-5H3;2*1-2H3/b12-7-,17-15+;;
InChIKeyNGRLYGHQDFWMCT-NGXDAWCOSA-N
MW306.54 g/mol
LogP6.43
Rot. Bonds4

About ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine

ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine (PubChem CID 144812822) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine.

Molecular Properties

Compound Nameethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine
PubChem CID144812822
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Nameethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine
SMILESCC.CC.CCC1(C)C=C/C(=N\C)N(/C=C\CC(C)C)C=C1
InChIInChI=1S/C16H26N2.2C2H6/c1-6-16(4)10-9-15(17-5)18(13-11-16)12-7-8-14(2)3;2*1-2/h7,9-14H,6,8H2,1-5H3;2*1-2H3/b12-7-,17-15+;;
InChIKeyNGRLYGHQDFWMCT-NGXDAWCOSA-N
XLogP6.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N,1-dimethylpyridin-2-imine
CID 59485522
N-ethyl-1,5,5-trimethylazepin-2-imine
CID 123171134
N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide
CID 126584530
(2Z)-N,N-bis(ethenyl)-N',4-dimethylhexa-2,5-dienimidamide;ethane;prop-1-ene
CID 141783554
1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine;ethane
CID 144812745
ethane;5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine
CID 144812786
2,8-Dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine;ethane
CID 144997975
2-Tert-butyl-2,8,8-trimethylpyrimido[1,2-a]azepine;2-methylpropane
CID 144997998
8-Tert-butyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine;ethane
CID 144998055
1-ethenyl-N,4-dimethyl-4H-azepin-7-imine
CID 145141567
8-Ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine
CID 146497600
N,5-dimethyl-1-[(Z)-pent-1-enyl]-5-propan-2-ylazepin-2-imine
CID 146497997

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine?
The IUPAC name of ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine (CID 144812822) is ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine.
What is the SMILES notation for ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine?
The canonical SMILES for ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine is CC.CC.CCC1(C)C=C/C(=N\C)N(/C=C\CC(C)C)C=C1.
What is the InChIKey of ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine?
The InChIKey is NGRLYGHQDFWMCT-NGXDAWCOSA-N. The full InChI is InChI=1S/C16H26N2.2C2H6/c1-6-16(4)10-9-15(17-5)18(13-11-16)12-7-8-14(2)3;2*1-2/h7,9-14H,6,8H2,1-5H3;2*1-2H3/b12-7-,17-15+;;.
What are the key properties of ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine?
ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine has a molecular weight of 306.54 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine is sourced from PubChem (CID 144812822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).