7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine

C16H32N2O2 — CID 61376926

IUPAC7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
SMILESCC(C)CN(CC(C)C)C1CC2(CCC1N)OCCO2
InChIInChI=1S/C16H32N2O2/c1-12(2)10-18(11-13(3)4)15-9-16(6-5-14(15)17)19-7-8-20-16/h12-15H,5-11,17H2,1-4H3
InChIKeyWNQDJSKDCPNRAK-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.22
Rot. Bonds5

About 7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine

7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine (PubChem CID 61376926) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine.

Molecular Properties

Compound Name7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
PubChem CID61376926
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
SMILESCC(C)CN(CC(C)C)C1CC2(CCC1N)OCCO2
InChIInChI=1S/C16H32N2O2/c1-12(2)10-18(11-13(3)4)15-9-16(6-5-14(15)17)19-7-8-20-16/h12-15H,5-11,17H2,1-4H3
InChIKeyWNQDJSKDCPNRAK-UHFFFAOYSA-N
XLogP2.22
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-methylpentoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43127758
7-N-(2-methoxyethyl)-7-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61427088
7-(2-methylpropylsulfonyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64645625
7-N-methyl-7-N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61437064
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine
CID 43273695
7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 54936727
7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106200696
7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 114537727
7-amino-1,4-dioxaspiro[4.5]decan-8-ol
CID 76655508
(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 121421967
7-(4,4-dimethylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 55156891

Frequently Asked Questions

What is the IUPAC name of 7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The IUPAC name of 7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine (CID 61376926) is 7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine.
What is the SMILES notation for 7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The canonical SMILES for 7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine is CC(C)CN(CC(C)C)C1CC2(CCC1N)OCCO2.
What is the InChIKey of 7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The InChIKey is WNQDJSKDCPNRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)10-18(11-13(3)4)15-9-16(6-5-14(15)17)19-7-8-20-16/h12-15H,5-11,17H2,1-4H3.
What are the key properties of 7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine?
7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine has a molecular weight of 284.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,7-N-bis(2-methylpropyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine is sourced from PubChem (CID 61376926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).