3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane

C16H30N2O — CID 102901662

IUPAC3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
SMILESCC1(C)CN(CC2CCC3(CCCC3)O2)CCCN1
InChIInChI=1S/C16H30N2O/c1-15(2)13-18(11-5-10-17-15)12-14-6-9-16(19-14)7-3-4-8-16/h14,17H,3-13H2,1-2H3
InChIKeyKUKPDUZMMPWZOE-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.55
Rot. Bonds2

About 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane

3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane (PubChem CID 102901662) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
PubChem CID102901662
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
SMILESCC1(C)CN(CC2CCC3(CCCC3)O2)CCCN1
InChIInChI=1S/C16H30N2O/c1-15(2)13-18(11-5-10-17-15)12-14-6-9-16(19-14)7-3-4-8-16/h14,17H,3-13H2,1-2H3
InChIKeyKUKPDUZMMPWZOE-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine
CID 116524419
10-[(5,5-dimethyloxolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 116524582
1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane
CID 64944195
3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901669
3,3-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
CID 64871665
2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901626
3-methylsulfanyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)azepane
CID 86818442
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol
CID 102900018
3,3-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64834436
3,3-dimethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-1,4-diazepane
CID 64944982
2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine
CID 102901590
3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900770

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane?
The IUPAC name of 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane (CID 102901662) is 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane?
The canonical SMILES for 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane is CC1(C)CN(CC2CCC3(CCCC3)O2)CCCN1.
What is the InChIKey of 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane?
The InChIKey is KUKPDUZMMPWZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-15(2)13-18(11-5-10-17-15)12-14-6-9-16(19-14)7-3-4-8-16/h14,17H,3-13H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane?
3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane has a molecular weight of 266.43 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 102901662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).