9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine

C13H26N4 — CID 79498392

IUPAC9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCCN1CCCC2(CC1)CN=C(N)N2C(C)C
InChIInChI=1S/C13H26N4/c1-4-16-8-5-6-13(7-9-16)10-15-12(14)17(13)11(2)3/h11H,4-10H2,1-3H3,(H2,14,15)
InChIKeyUWBVYRKAOWOTJN-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.27
Rot. Bonds2

About 9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine

9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79498392) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
PubChem CID79498392
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCCN1CCCC2(CC1)CN=C(N)N2C(C)C
InChIInChI=1S/C13H26N4/c1-4-16-8-5-6-13(7-9-16)10-15-12(14)17(13)11(2)3/h11H,4-10H2,1-3H3,(H2,14,15)
InChIKeyUWBVYRKAOWOTJN-UHFFFAOYSA-N
XLogP1.27
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79498008
1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79498192
1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79514056
9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79503079
7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 79497621
1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79520778
1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79504939
7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497807
1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79514380
9-methyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79498909
1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine
CID 79514665
1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79498245

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (CID 79498392) is 9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is CCN1CCCC2(CC1)CN=C(N)N2C(C)C.
What is the InChIKey of 9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is UWBVYRKAOWOTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-16-8-5-6-13(7-9-16)10-15-12(14)17(13)11(2)3/h11H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of 9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 238.38 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79498392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).