3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane

C14H26N2O — CID 114264830

IUPAC3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane
SMILESC=CCOC(C)CN1CCCNC(C2CC2)C1
InChIInChI=1S/C14H26N2O/c1-3-9-17-12(2)10-16-8-4-7-15-14(11-16)13-5-6-13/h3,12-15H,1,4-11H2,2H3
InChIKeyAQYKBFUZHULKHJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.65
Rot. Bonds6

About 3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane

3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane (PubChem CID 114264830) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane
PubChem CID114264830
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane
SMILESC=CCOC(C)CN1CCCNC(C2CC2)C1
InChIInChI=1S/C14H26N2O/c1-3-9-17-12(2)10-16-8-4-7-15-14(11-16)13-5-6-13/h3,12-15H,1,4-11H2,2H3
InChIKeyAQYKBFUZHULKHJ-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclopropyl-7-methyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
CID 64869269
3-Cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
CID 64870920
1-(2-But-3-enoxyethyl)-3-cyclopropyl-1,4-diazepane
CID 106409083
3-Butan-2-yl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane
CID 113589728
3-Cyclopropyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane
CID 113589731
1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine
CID 114264046
1-propan-2-yl-N-(2-prop-2-enoxypropyl)azepan-4-amine
CID 114264657
5-Butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine
CID 114264822
3-Butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine
CID 114264823
3-Ethyl-3-methyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane
CID 114264831
3-Propan-2-yl-1-(2-prop-2-enoxypropyl)-1,4-diazepane
CID 114264833
1-[2-(2-Methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)-1,4-diazepane
CID 114469708

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane (CID 114264830) is 3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane is C=CCOC(C)CN1CCCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane?
The InChIKey is AQYKBFUZHULKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-9-17-12(2)10-16-8-4-7-15-14(11-16)13-5-6-13/h3,12-15H,1,4-11H2,2H3.
What are the key properties of 3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane?
3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane has a molecular weight of 238.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-prop-2-enoxypropyl)-1,4-diazepane is sourced from PubChem (CID 114264830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).