1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C16H33N5 — CID 79502004

IUPAC1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCCCN1CCC2(CC1)CN=C(N)N2CCN(CC)CC
InChIInChI=1S/C16H33N5/c1-4-9-20-10-7-16(8-11-20)14-18-15(17)21(16)13-12-19(5-2)6-3/h4-14H2,1-3H3,(H2,17,18)
InChIKeyZXOIEBHKFHBTTP-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.20
Rot. Bonds7

About 1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79502004) has the molecular formula C16H33N5 and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79502004
Molecular FormulaC16H33N5
Molecular Weight295.47 g/mol
Exact Mass295.27
IUPAC Name1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCCCN1CCC2(CC1)CN=C(N)N2CCN(CC)CC
InChIInChI=1S/C16H33N5/c1-4-9-20-10-7-16(8-11-20)14-18-15(17)21(16)13-12-19(5-2)6-3/h4-14H2,1-3H3,(H2,17,18)
InChIKeyZXOIEBHKFHBTTP-UHFFFAOYSA-N
XLogP1.20
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79504939
1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79514380
1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79498192
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-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79498008
1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79496898
2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
CID 83266597
1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79520778
1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79500013
1-[2-(diethylamino)ethyl]-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79956012
1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine
CID 79502878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79502004) is 1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is CCCN1CCC2(CC1)CN=C(N)N2CCN(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is ZXOIEBHKFHBTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5/c1-4-9-20-10-7-16(8-11-20)14-18-15(17)21(16)13-12-19(5-2)6-3/h4-14H2,1-3H3,(H2,17,18).
What are the key properties of 1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 295.47 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79502004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).