1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C15H30N4S — CID 79956012

IUPAC1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCN(CC)CCN1C(N)=NCC12CSCCC2(C)C
InChIInChI=1S/C15H30N4S/c1-5-18(6-2)8-9-19-13(16)17-11-15(19)12-20-10-7-14(15,3)4/h5-12H2,1-4H3,(H2,16,17)
InChIKeyAVISKXJSTJFJHS-UHFFFAOYSA-N
MW298.50 g/mol
LogP1.86
Rot. Bonds5

About 1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79956012) has the molecular formula C15H30N4S and a molecular weight of 298.50 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79956012
Molecular FormulaC15H30N4S
Molecular Weight298.50 g/mol
Exact Mass298.22
IUPAC Name1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCN(CC)CCN1C(N)=NCC12CSCCC2(C)C
InChIInChI=1S/C15H30N4S/c1-5-18(6-2)8-9-19-13(16)17-11-15(19)12-20-10-7-14(15,3)4/h5-12H2,1-4H3,(H2,16,17)
InChIKeyAVISKXJSTJFJHS-UHFFFAOYSA-N
XLogP1.86
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine
CID 79514693
1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79957258
1-(4-methoxyphenyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79952942
1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine
CID 79502878
1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79502004
1-[2-(diethylamino)ethyl]-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514390
5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine
CID 79502876
6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79852712
4-amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960511
1-benzyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505951
3-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylthian-3-amine
CID 79948464
4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79985561

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79956012) is 1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCN(CC)CCN1C(N)=NCC12CSCCC2(C)C.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is AVISKXJSTJFJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S/c1-5-18(6-2)8-9-19-13(16)17-11-15(19)12-20-10-7-14(15,3)4/h5-12H2,1-4H3,(H2,16,17).
What are the key properties of 1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 298.50 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79956012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).