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

C15H30N4 — CID 79514056

IUPAC1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCCC(C)N1C(N)=NCC12CCCN(C(C)C)CC2
InChIInChI=1S/C15H30N4/c1-5-13(4)19-14(16)17-11-15(19)7-6-9-18(10-8-15)12(2)3/h12-13H,5-11H2,1-4H3,(H2,16,17)
InChIKeyCFHUDVOYWFVXEX-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.05
Rot. Bonds3

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

1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79514056) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
PubChem CID79514056
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCCC(C)N1C(N)=NCC12CCCN(C(C)C)CC2
InChIInChI=1S/C15H30N4/c1-5-13(4)19-14(16)17-11-15(19)7-6-9-18(10-8-15)12(2)3/h12-13H,5-11H2,1-4H3,(H2,16,17)
InChIKeyCFHUDVOYWFVXEX-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (CID 79514056) is 1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is CCC(C)N1C(N)=NCC12CCCN(C(C)C)CC2.
What is the InChIKey of 1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is CFHUDVOYWFVXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-5-13(4)19-14(16)17-11-15(19)7-6-9-18(10-8-15)12(2)3/h12-13H,5-11H2,1-4H3,(H2,16,17).
What are the key properties of 1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 266.43 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79514056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).