1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C15H30N4 — CID 79497456

IUPAC1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CC(C)(C)CC2(CN=C(N)N2CCN(C)C)C1
InChIInChI=1S/C15H30N4/c1-12-8-14(2,3)10-15(9-12)11-17-13(16)19(15)7-6-18(4)5/h12H,6-11H2,1-5H3,(H2,16,17)
InChIKeyYXZABUSGHBNVJN-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.76
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79497456) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79497456
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CC(C)(C)CC2(CN=C(N)N2CCN(C)C)C1
InChIInChI=1S/C15H30N4/c1-12-8-14(2,3)10-15(9-12)11-17-13(16)19(15)7-6-18(4)5/h12H,6-11H2,1-5H3,(H2,16,17)
InChIKeyYXZABUSGHBNVJN-UHFFFAOYSA-N
XLogP1.76
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79497456) is 1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1CC(C)(C)CC2(CN=C(N)N2CCN(C)C)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is YXZABUSGHBNVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-12-8-14(2,3)10-15(9-12)11-17-13(16)19(15)7-6-18(4)5/h12H,6-11H2,1-5H3,(H2,16,17).
What are the key properties of 1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 266.43 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79497456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).