3-cyclopropyl-1-methyl-1,4-diazepane

C9H18N2 — CID 64869543

IUPAC3-cyclopropyl-1-methyl-1,4-diazepane
SMILESCN1CCCNC(C2CC2)C1
InChIInChI=1S/C9H18N2/c1-11-6-2-5-10-9(7-11)8-3-4-8/h8-10H,2-7H2,1H3
InChIKeyFGBFSGPRKUIPHE-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds1

About 3-cyclopropyl-1-methyl-1,4-diazepane

3-cyclopropyl-1-methyl-1,4-diazepane (PubChem CID 64869543) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-1,4-diazepane
PubChem CID64869543
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-cyclopropyl-1-methyl-1,4-diazepane
SMILESCN1CCCNC(C2CC2)C1
InChIInChI=1S/C9H18N2/c1-11-6-2-5-10-9(7-11)8-3-4-8/h8-10H,2-7H2,1H3
InChIKeyFGBFSGPRKUIPHE-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-methyl-1,4-diazepane (CID 64869543) is 3-cyclopropyl-1-methyl-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-methyl-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-methyl-1,4-diazepane is CN1CCCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-methyl-1,4-diazepane?
The InChIKey is FGBFSGPRKUIPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-11-6-2-5-10-9(7-11)8-3-4-8/h8-10H,2-7H2,1H3.
What are the key properties of 3-cyclopropyl-1-methyl-1,4-diazepane?
3-cyclopropyl-1-methyl-1,4-diazepane has a molecular weight of 154.26 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-1,4-diazepane is sourced from PubChem (CID 64869543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).