N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine

C11H17NO — CID 129016184

IUPACN-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine
SMILESCCNC[C@H]1OCCC2=C1CC=C2
InChIInChI=1S/C11H17NO/c1-2-12-8-11-10-5-3-4-9(10)6-7-13-11/h3-4,11-12H,2,5-8H2,1H3/t11-/m1/s1
InChIKeyVDPAPRLVNXHSTQ-LLVKDONJSA-N
MW179.26 g/mol
LogP1.64
Rot. Bonds3

About N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine

N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine (PubChem CID 129016184) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine
PubChem CID129016184
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine
SMILESCCNC[C@H]1OCCC2=C1CC=C2
InChIInChI=1S/C11H17NO/c1-2-12-8-11-10-5-3-4-9(10)6-7-13-11/h3-4,11-12H,2,5-8H2,1H3/t11-/m1/s1
InChIKeyVDPAPRLVNXHSTQ-LLVKDONJSA-N
XLogP1.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine?
The IUPAC name of N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine (CID 129016184) is N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine?
The canonical SMILES for N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine is CCNC[C@H]1OCCC2=C1CC=C2.
What is the InChIKey of N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine?
The InChIKey is VDPAPRLVNXHSTQ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-12-8-11-10-5-3-4-9(10)6-7-13-11/h3-4,11-12H,2,5-8H2,1H3/t11-/m1/s1.
What are the key properties of N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine?
N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine has a molecular weight of 179.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine is sourced from PubChem (CID 129016184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).