3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane

C16H30N2O — CID 64870613

IUPAC3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
SMILESCC1CCNC(C)(C2CC2)CN1CC1CCOCC1
InChIInChI=1S/C16H30N2O/c1-13-5-8-17-16(2,15-3-4-15)12-18(13)11-14-6-9-19-10-7-14/h13-15,17H,3-12H2,1-2H3
InChIKeyDXZYPSLJWLFJNJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.27
Rot. Bonds3

About 3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane

3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane (PubChem CID 64870613) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
PubChem CID64870613
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
SMILESCC1CCNC(C)(C2CC2)CN1CC1CCOCC1
InChIInChI=1S/C16H30N2O/c1-13-5-8-17-16(2,15-3-4-15)12-18(13)11-14-6-9-19-10-7-14/h13-15,17H,3-12H2,1-2H3
InChIKeyDXZYPSLJWLFJNJ-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64832698
3-cyclopropyl-1-(2-ethoxyethyl)-3,7-dimethyl-1,4-diazepane
CID 64871599
3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64871206
3-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,7-dimethyl-1,4-diazepane
CID 65096316
5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64860212
3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane
CID 64870416
5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine
CID 64934971
3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane
CID 64871799
3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64870220
2,5-dicyclopropyl-1-(cyclopropylmethyl)-5-methylpiperazine
CID 64877328
1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane
CID 79451068
3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane
CID 64871007

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane (CID 64870613) is 3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane is CC1CCNC(C)(C2CC2)CN1CC1CCOCC1.
What is the InChIKey of 3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane?
The InChIKey is DXZYPSLJWLFJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13-5-8-17-16(2,15-3-4-15)12-18(13)11-14-6-9-19-10-7-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane?
3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane has a molecular weight of 266.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 64870613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).