5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine

C14H22N2 — CID 144812787

IUPAC5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine
SMILES[H]/N=C1\C=CC(C)(CC)C=CN1/C=C\C(C)C
InChIInChI=1S/C14H22N2/c1-5-14(4)8-6-13(15)16(11-9-14)10-7-12(2)3/h6-12,15H,5H2,1-4H3/b10-7-,15-13+
InChIKeyRDLPESPRYQLAPB-LTNMJMHJSA-N
MW218.34 g/mol
LogP3.94
Rot. Bonds3

About 5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine

5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine (PubChem CID 144812787) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine.

Molecular Properties

Compound Name5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine
PubChem CID144812787
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine
SMILES[H]/N=C1\C=CC(C)(CC)C=CN1/C=C\C(C)C
InChIInChI=1S/C14H22N2/c1-5-14(4)8-6-13(15)16(11-9-14)10-7-12(2)3/h6-12,15H,5H2,1-4H3/b10-7-,15-13+
InChIKeyRDLPESPRYQLAPB-LTNMJMHJSA-N
XLogP3.94
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine
CID 142470847
1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine
CID 143288207
6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine
CID 144812738
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
N,5-dimethyl-1-[(Z)-pent-1-enyl]-5-propan-2-ylazepin-2-imine
CID 146497997
1-[(Z)-but-1-enyl]-N,5-dimethyl-5-propan-2-ylazepin-2-imine;ethane
CID 153551572
N,5-dimethyl-1-[(Z)-pent-1-enyl]-5-propan-2-ylazepin-2-imine;ethane
CID 153551583
ethane;4-propan-2-yl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 168190456
N-[(E)-2,3-dimethylbut-1-enyl]-N-[(Z)-pent-1-enyl]prop-2-enimidamide
CID 169949203
1-[(Z)-prop-1-enyl]-4H-azepin-7-imine
CID 142470848

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine?
The IUPAC name of 5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine (CID 144812787) is 5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine.
What is the SMILES notation for 5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine?
The canonical SMILES for 5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine is [H]/N=C1\C=CC(C)(CC)C=CN1/C=C\C(C)C.
What is the InChIKey of 5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine?
The InChIKey is RDLPESPRYQLAPB-LTNMJMHJSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-14(4)8-6-13(15)16(11-9-14)10-7-12(2)3/h6-12,15H,5H2,1-4H3/b10-7-,15-13+.
What are the key properties of 5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine?
5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine has a molecular weight of 218.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine is sourced from PubChem (CID 144812787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).