6-butylcyclopenta[c]pyran-5-amine;hydrochloride

C12H16ClNO — CID 69426672

IUPAC6-butylcyclopenta[c]pyran-5-amine;hydrochloride
SMILESCCCCc1cc2coccc-2c1N.Cl
InChIInChI=1S/C12H15NO.ClH/c1-2-3-4-9-7-10-8-14-6-5-11(10)12(9)13;/h5-8H,2-4,13H2,1H3;1H
InChIKeySNUHQULWYYYNCG-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.73
Rot. Bonds3

About 6-butylcyclopenta[c]pyran-5-amine;hydrochloride

6-butylcyclopenta[c]pyran-5-amine;hydrochloride (PubChem CID 69426672) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 6-butylcyclopenta[c]pyran-5-amine;hydrochloride.

Molecular Properties

Compound Name6-butylcyclopenta[c]pyran-5-amine;hydrochloride
PubChem CID69426672
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name6-butylcyclopenta[c]pyran-5-amine;hydrochloride
SMILESCCCCc1cc2coccc-2c1N.Cl
InChIInChI=1S/C12H15NO.ClH/c1-2-3-4-9-7-10-8-14-6-5-11(10)12(9)13;/h5-8H,2-4,13H2,1H3;1H
InChIKeySNUHQULWYYYNCG-UHFFFAOYSA-N
XLogP3.73
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-butyl-4-(furan-3-yl)-6-pyridin-4-ylpyrimidin-2-amine
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5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine
CID 139449763
2-butyl-4-phenylaniline
CID 24835781
3-undecylfuran
CID 13123134
3-octylfuran
CID 12700162
2-(furan-3-yl)-4-methylaniline
CID 63949346
2-butyl-6-octylaniline
CID 154074002
2-butyl-4,6-ditert-butylaniline
CID 167227063
4-(4-amino-2,3,5-tributylphenoxy)-2,3,6-tributylaniline
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Frequently Asked Questions

What is the IUPAC name of 6-butylcyclopenta[c]pyran-5-amine;hydrochloride?
The IUPAC name of 6-butylcyclopenta[c]pyran-5-amine;hydrochloride (CID 69426672) is 6-butylcyclopenta[c]pyran-5-amine;hydrochloride.
What is the SMILES notation for 6-butylcyclopenta[c]pyran-5-amine;hydrochloride?
The canonical SMILES for 6-butylcyclopenta[c]pyran-5-amine;hydrochloride is CCCCc1cc2coccc-2c1N.Cl.
What is the InChIKey of 6-butylcyclopenta[c]pyran-5-amine;hydrochloride?
The InChIKey is SNUHQULWYYYNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c1-2-3-4-9-7-10-8-14-6-5-11(10)12(9)13;/h5-8H,2-4,13H2,1H3;1H.
What are the key properties of 6-butylcyclopenta[c]pyran-5-amine;hydrochloride?
6-butylcyclopenta[c]pyran-5-amine;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylcyclopenta[c]pyran-5-amine;hydrochloride is sourced from PubChem (CID 69426672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).