1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine

C14H27N3 — CID 79515044

IUPAC1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine
SMILESCCC(C)N1C(N)=NCC12CCCCCCC2
InChIInChI=1S/C14H27N3/c1-3-12(2)17-13(15)16-11-14(17)9-7-5-4-6-8-10-14/h12H,3-11H2,1-2H3,(H2,15,16)
InChIKeyDVXSWECSDRLXMG-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.90
Rot. Bonds2

About 1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine

1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine (PubChem CID 79515044) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine
PubChem CID79515044
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine
SMILESCCC(C)N1C(N)=NCC12CCCCCCC2
InChIInChI=1S/C14H27N3/c1-3-12(2)17-13(15)16-11-14(17)9-7-5-4-6-8-10-14/h12H,3-11H2,1-2H3,(H2,15,16)
InChIKeyDVXSWECSDRLXMG-UHFFFAOYSA-N
XLogP2.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine?
The IUPAC name of 1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine (CID 79515044) is 1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine.
What is the SMILES notation for 1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine?
The canonical SMILES for 1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine is CCC(C)N1C(N)=NCC12CCCCCCC2.
What is the InChIKey of 1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine?
The InChIKey is DVXSWECSDRLXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-12(2)17-13(15)16-11-14(17)9-7-5-4-6-8-10-14/h12H,3-11H2,1-2H3,(H2,15,16).
What are the key properties of 1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine?
1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine is sourced from PubChem (CID 79515044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).