N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide

C17H29N3O — CID 83212097

IUPACN,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
SMILESCCNC1CCCCc2cn(CC(=O)N(CC)CC)cc21
InChIInChI=1S/C17H29N3O/c1-4-18-16-10-8-7-9-14-11-19(12-15(14)16)13-17(21)20(5-2)6-3/h11-12,16,18H,4-10,13H2,1-3H3
InChIKeyJGQRUPJQZNMYEF-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.73
Rot. Bonds6

About N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide

N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide (PubChem CID 83212097) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
PubChem CID83212097
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
SMILESCCNC1CCCCc2cn(CC(=O)N(CC)CC)cc21
InChIInChI=1S/C17H29N3O/c1-4-18-16-10-8-7-9-14-11-19(12-15(14)16)13-17(21)20(5-2)6-3/h11-12,16,18H,4-10,13H2,1-3H3
InChIKeyJGQRUPJQZNMYEF-UHFFFAOYSA-N
XLogP2.73
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide (CID 83212097) is N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide is CCNC1CCCCc2cn(CC(=O)N(CC)CC)cc21.
What is the InChIKey of N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
The InChIKey is JGQRUPJQZNMYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-18-16-10-8-7-9-14-11-19(12-15(14)16)13-17(21)20(5-2)6-3/h11-12,16,18H,4-10,13H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide has a molecular weight of 291.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide is sourced from PubChem (CID 83212097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).