1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C14H28N4 — CID 79497495

IUPAC1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCN(C(C)C)CC2
InChIInChI=1S/C14H28N4/c1-11(2)9-18-13(15)16-10-14(18)5-7-17(8-6-14)12(3)4/h11-12H,5-10H2,1-4H3,(H2,15,16)
InChIKeyNDKMYIVTISDBKT-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.52
Rot. Bonds3

About 1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79497495) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79497495
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCN(C(C)C)CC2
InChIInChI=1S/C14H28N4/c1-11(2)9-18-13(15)16-10-14(18)5-7-17(8-6-14)12(3)4/h11-12H,5-10H2,1-4H3,(H2,15,16)
InChIKeyNDKMYIVTISDBKT-UHFFFAOYSA-N
XLogP1.52
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79497495) is 1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is CC(C)CN1C(N)=NCC12CCN(C(C)C)CC2.
What is the InChIKey of 1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is NDKMYIVTISDBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-11(2)9-18-13(15)16-10-14(18)5-7-17(8-6-14)12(3)4/h11-12H,5-10H2,1-4H3,(H2,15,16).
What are the key properties of 1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 252.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79497495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).