1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

C14H28N4O — CID 79498686

IUPAC1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)C1CC2(CCO1)CN=C(N)N2CCN(C)C
InChIInChI=1S/C14H28N4O/c1-11(2)12-9-14(5-8-19-12)10-16-13(15)18(14)7-6-17(3)4/h11-12H,5-10H2,1-4H3,(H2,15,16)
InChIKeyAFZNUXJTCOTMGM-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.75
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79498686) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79498686
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)C1CC2(CCO1)CN=C(N)N2CCN(C)C
InChIInChI=1S/C14H28N4O/c1-11(2)12-9-14(5-8-19-12)10-16-13(15)18(14)7-6-17(3)4/h11-12H,5-10H2,1-4H3,(H2,15,16)
InChIKeyAFZNUXJTCOTMGM-UHFFFAOYSA-N
XLogP0.75
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79498686) is 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC(C)C1CC2(CCO1)CN=C(N)N2CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is AFZNUXJTCOTMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11(2)12-9-14(5-8-19-12)10-16-13(15)18(14)7-6-17(3)4/h11-12H,5-10H2,1-4H3,(H2,15,16).
What are the key properties of 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 268.40 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79498686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).