7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine

C16H31N3O2 — CID 63206528

IUPAC7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
SMILESCNC1CCC2(CC1N(C)CCN1CCCC1)OCCO2
InChIInChI=1S/C16H31N3O2/c1-17-14-5-6-16(20-11-12-21-16)13-15(14)18(2)9-10-19-7-3-4-8-19/h14-15,17H,3-13H2,1-2H3
InChIKeyOUVZKSJAZIOFIO-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.90
Rot. Bonds5

About 7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine

7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine (PubChem CID 63206528) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine.

Molecular Properties

Compound Name7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
PubChem CID63206528
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
SMILESCNC1CCC2(CC1N(C)CCN1CCCC1)OCCO2
InChIInChI=1S/C16H31N3O2/c1-17-14-5-6-16(20-11-12-21-16)13-15(14)18(2)9-10-19-7-3-4-8-19/h14-15,17H,3-13H2,1-2H3
InChIKeyOUVZKSJAZIOFIO-UHFFFAOYSA-N
XLogP0.90
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine
CID 63207186
7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 102992463
1-N,2-N-dimethyl-4-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
CID 63206871
2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine
CID 63207322
7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 62123551
3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol
CID 63211366
N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63608607
7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61427088
2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
CID 102637303
7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64646772
1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
CID 63206785
7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64674104

Frequently Asked Questions

What is the IUPAC name of 7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The IUPAC name of 7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine (CID 63206528) is 7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine.
What is the SMILES notation for 7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The canonical SMILES for 7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine is CNC1CCC2(CC1N(C)CCN1CCCC1)OCCO2.
What is the InChIKey of 7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The InChIKey is OUVZKSJAZIOFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-17-14-5-6-16(20-11-12-21-16)13-15(14)18(2)9-10-19-7-3-4-8-19/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine?
7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine has a molecular weight of 297.44 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine is sourced from PubChem (CID 63206528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).