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

C16H26N2 — CID 144812823

IUPAC5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine
SMILESCCC1(C)C=C/C(=N\C)N(/C=C\CC(C)C)C=C1
InChIInChI=1S/C16H26N2/c1-6-16(4)10-9-15(17-5)18(13-11-16)12-7-8-14(2)3/h7,9-14H,6,8H2,1-5H3/b12-7-,17-15+
InChIKeyNITHVCFXEKPDAY-YGVPPGCGSA-N
MW246.40 g/mol
LogP4.38
Rot. Bonds4

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

5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine (PubChem CID 144812823) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine.

Molecular Properties

Compound Name5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine
PubChem CID144812823
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine
SMILESCCC1(C)C=C/C(=N\C)N(/C=C\CC(C)C)C=C1
InChIInChI=1S/C16H26N2/c1-6-16(4)10-9-15(17-5)18(13-11-16)12-7-8-14(2)3/h7,9-14H,6,8H2,1-5H3/b12-7-,17-15+
InChIKeyNITHVCFXEKPDAY-YGVPPGCGSA-N
XLogP4.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine with MolForge

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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
N,N,3-trimethyl-4H-azepin-7-amine
CID 143217510
8,8-Dimethylpyrimido[1,2-a]azepine
CID 143862134
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
ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine
CID 144812822
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine?
The IUPAC name of 5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine (CID 144812823) is 5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine.
What is the SMILES notation for 5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine?
The canonical SMILES for 5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine is CCC1(C)C=C/C(=N\C)N(/C=C\CC(C)C)C=C1.
What is the InChIKey of 5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine?
The InChIKey is NITHVCFXEKPDAY-YGVPPGCGSA-N. The full InChI is InChI=1S/C16H26N2/c1-6-16(4)10-9-15(17-5)18(13-11-16)12-7-8-14(2)3/h7,9-14H,6,8H2,1-5H3/b12-7-,17-15+.
What are the key properties of 5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine?
5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine has a molecular weight of 246.40 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine is sourced from PubChem (CID 144812823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).