N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine

C16H26N4O — CID 102901261

IUPACN-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
SMILESc1nc(CNC2CC2)nn1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H26N4O/c1-2-7-16(8-3-1)9-6-14(21-16)11-20-12-18-15(19-20)10-17-13-4-5-13/h12-14,17H,1-11H2
InChIKeyQQWGPUGBLYDSAY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.41
Rot. Bonds5

About N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine

N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine (PubChem CID 102901261) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
PubChem CID102901261
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
SMILESc1nc(CNC2CC2)nn1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H26N4O/c1-2-7-16(8-3-1)9-6-14(21-16)11-20-12-18-15(19-20)10-17-13-4-5-13/h12-14,17H,1-11H2
InChIKeyQQWGPUGBLYDSAY-UHFFFAOYSA-N
XLogP2.41
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 102900151
N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102896553
N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine
CID 102901212
3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 164636026
4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 106720824
N-[[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 102901214
1-(cyclopropylamino)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-ol
CID 102901951
1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846457
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazole-4-carboxylic acid
CID 102898692
N-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 106458377
N-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 102900142
3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazole-4-carboxylic acid
CID 102898704

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine (CID 102901261) is N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine is c1nc(CNC2CC2)nn1CC1CCC2(CCCCC2)O1.
What is the InChIKey of N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The InChIKey is QQWGPUGBLYDSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-7-16(8-3-1)9-6-14(21-16)11-20-12-18-15(19-20)10-17-13-4-5-13/h12-14,17H,1-11H2.
What are the key properties of N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine has a molecular weight of 290.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102901261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).