7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine

C16H33N3O2 — CID 102992463

IUPAC7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine
SMILESCCN(CCCN(C)C)C1CC2(CCC1NC)OCCO2
InChIInChI=1S/C16H33N3O2/c1-5-19(10-6-9-18(3)4)15-13-16(20-11-12-21-16)8-7-14(15)17-2/h14-15,17H,5-13H2,1-4H3
InChIKeyYZULXYMNJIPNMU-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.14
Rot. Bonds7

About 7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine

7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (PubChem CID 102992463) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine.

Molecular Properties

Compound Name7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine
PubChem CID102992463
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine
SMILESCCN(CCCN(C)C)C1CC2(CCC1NC)OCCO2
InChIInChI=1S/C16H33N3O2/c1-5-19(10-6-9-18(3)4)15-13-16(20-11-12-21-16)8-7-14(15)17-2/h14-15,17H,5-13H2,1-4H3
InChIKeyYZULXYMNJIPNMU-UHFFFAOYSA-N
XLogP1.14
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The IUPAC name of 7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (CID 102992463) is 7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine.
What is the SMILES notation for 7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The canonical SMILES for 7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine is CCN(CCCN(C)C)C1CC2(CCC1NC)OCCO2.
What is the InChIKey of 7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine?
The InChIKey is YZULXYMNJIPNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-19(10-6-9-18(3)4)15-13-16(20-11-12-21-16)8-7-14(15)17-2/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine?
7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine has a molecular weight of 299.46 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine is sourced from PubChem (CID 102992463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).