1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane

C11H22N2O — CID 118968946

IUPAC1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane
SMILESC=C(OC)N1CCCN(C(C)C)CC1
InChIInChI=1S/C11H22N2O/c1-10(2)12-6-5-7-13(9-8-12)11(3)14-4/h10H,3,5-9H2,1-2,4H3
InChIKeyVBQCHHJZKSBFOG-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.52
Rot. Bonds3

About 1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane

1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane (PubChem CID 118968946) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane
PubChem CID118968946
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane
SMILESC=C(OC)N1CCCN(C(C)C)CC1
InChIInChI=1S/C11H22N2O/c1-10(2)12-6-5-7-13(9-8-12)11(3)14-4/h10H,3,5-9H2,1-2,4H3
InChIKeyVBQCHHJZKSBFOG-UHFFFAOYSA-N
XLogP1.52
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 4-propan-2-ylpiperazine-1-carboxylate
CID 59264587
N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carbothioamide
CID 115579030
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
methoxymethane;1-propan-2-ylazepane
CID 178173420
1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine
CID 147502598
ethene;1-propan-2-ylpiperidine
CID 177325228
N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 113103320
1-fluoro-4-propan-2-yl-1,4-diazepane
CID 155701545
ethane;1-propan-2-ylpyrrolidine
CID 167557798
1-(1-methoxyethenyl)-4-methylpiperidine
CID 143020458
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
[1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165747

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane?
The IUPAC name of 1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane (CID 118968946) is 1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane is C=C(OC)N1CCCN(C(C)C)CC1.
What is the InChIKey of 1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane?
The InChIKey is VBQCHHJZKSBFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2)12-6-5-7-13(9-8-12)11(3)14-4/h10H,3,5-9H2,1-2,4H3.
What are the key properties of 1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane?
1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane has a molecular weight of 198.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 118968946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).