1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane

C15H34N6 — CID 22495519

IUPAC1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
SMILESCC(CN1CCNCCNCC1)N1CCNCCNCC1
InChIInChI=1S/C15H34N6/c1-15(21-12-8-18-4-5-19-9-13-21)14-20-10-6-16-2-3-17-7-11-20/h15-19H,2-14H2,1H3
InChIKeyNMUNRKIEYRGXOS-UHFFFAOYSA-N
MW298.48 g/mol
LogP-1.64
Rot. Bonds3

About 1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane

1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane (PubChem CID 22495519) has the molecular formula C15H34N6 and a molecular weight of 298.48 g/mol. Its IUPAC name is 1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane.

Molecular Properties

Compound Name1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
PubChem CID22495519
Molecular FormulaC15H34N6
Molecular Weight298.48 g/mol
Exact Mass298.28
IUPAC Name1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
SMILESCC(CN1CCNCCNCC1)N1CCNCCNCC1
InChIInChI=1S/C15H34N6/c1-15(21-12-8-18-4-5-19-9-13-21)14-20-10-6-16-2-3-17-7-11-20/h15-19H,2-14H2,1H3
InChIKeyNMUNRKIEYRGXOS-UHFFFAOYSA-N
XLogP-1.64
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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piperazine;1-piperazin-1-ylpropan-2-ol
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methane;1-(2-methylpropyl)piperazine
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1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
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1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane
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1-(1-piperazin-1-ylpropan-2-yl)imidazolidin-2-one
CID 82508519
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
1-(4,5-dimethylhexan-2-yl)piperazine
CID 134335221
1-ethylpiperazine;1-propan-2-ylpiperazine
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1-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,4-diazepane
CID 62832597

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane?
The IUPAC name of 1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane (CID 22495519) is 1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane.
What is the SMILES notation for 1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane?
The canonical SMILES for 1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane is CC(CN1CCNCCNCC1)N1CCNCCNCC1.
What is the InChIKey of 1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane?
The InChIKey is NMUNRKIEYRGXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N6/c1-15(21-12-8-18-4-5-19-9-13-21)14-20-10-6-16-2-3-17-7-11-20/h15-19H,2-14H2,1H3.
What are the key properties of 1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane?
1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane has a molecular weight of 298.48 g/mol, XLogP of -1.64, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane is sourced from PubChem (CID 22495519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).