3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine

C17H29NO — CID 170077229

IUPAC3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine
SMILESCCCN(CC)CCCC1=CC[C@H]2OCCCC2=C1
InChIInChI=1S/C17H29NO/c1-3-11-18(4-2)12-5-7-15-9-10-17-16(14-15)8-6-13-19-17/h9,14,17H,3-8,10-13H2,1-2H3/t17-/m1/s1
InChIKeyASJWEYNNASNNCG-QGZVFWFLSA-N
MW263.42 g/mol
LogP3.93
Rot. Bonds7

About 3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine

3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine (PubChem CID 170077229) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine
PubChem CID170077229
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine
SMILESCCCN(CC)CCCC1=CC[C@H]2OCCCC2=C1
InChIInChI=1S/C17H29NO/c1-3-11-18(4-2)12-5-7-15-9-10-17-16(14-15)8-6-13-19-17/h9,14,17H,3-8,10-13H2,1-2H3/t17-/m1/s1
InChIKeyASJWEYNNASNNCG-QGZVFWFLSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine?
The IUPAC name of 3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine (CID 170077229) is 3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine?
The canonical SMILES for 3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine is CCCN(CC)CCCC1=CC[C@H]2OCCCC2=C1.
What is the InChIKey of 3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine?
The InChIKey is ASJWEYNNASNNCG-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-11-18(4-2)12-5-7-15-9-10-17-16(14-15)8-6-13-19-17/h9,14,17H,3-8,10-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine?
3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine is sourced from PubChem (CID 170077229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).