4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride

C14H29ClN2O5 — CID 3088119

IUPAC4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C14H28N2O5.ClH/c15-3-1-2-14(17)16-4-6-18-8-10-20-12-13-21-11-9-19-7-5-16;/h1-13,15H2;1H
InChIKeyRWTWMCJLMZQKPO-UHFFFAOYSA-N
MW340.85 g/mol
LogP0.06
Rot. Bonds3

About 4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride

4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride (PubChem CID 3088119) has the molecular formula C14H29ClN2O5 and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride
PubChem CID3088119
Molecular FormulaC14H29ClN2O5
Molecular Weight340.85 g/mol
Exact Mass340.18
IUPAC Name4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C14H28N2O5.ClH/c15-3-1-2-14(17)16-4-6-18-8-10-20-12-13-21-11-9-19-7-5-16;/h1-13,15H2;1H
InChIKeyRWTWMCJLMZQKPO-UHFFFAOYSA-N
XLogP0.06
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride (CID 3088119) is 4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride is Cl.NCCCC(=O)N1CCOCCOCCOCCOCC1.
What is the InChIKey of 4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride?
The InChIKey is RWTWMCJLMZQKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5.ClH/c15-3-1-2-14(17)16-4-6-18-8-10-20-12-13-21-11-9-19-7-5-16;/h1-13,15H2;1H.
What are the key properties of 4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride?
4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 3088119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).