1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide

C14H27N3O2 — CID 55037765

IUPAC1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)C1(CN)CCCC1
InChIInChI=1S/C14H27N3O2/c1-4-17(5-2)12(18)10-16(3)13(19)14(11-15)8-6-7-9-14/h4-11,15H2,1-3H3
InChIKeySJZLKJZFSKATAJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.83
Rot. Bonds6

About 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide

1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 55037765) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide
PubChem CID55037765
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)C1(CN)CCCC1
InChIInChI=1S/C14H27N3O2/c1-4-17(5-2)12(18)10-16(3)13(19)14(11-15)8-6-7-9-14/h4-11,15H2,1-3H3
InChIKeySJZLKJZFSKATAJ-UHFFFAOYSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide (CID 55037765) is 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide is CCN(CC)C(=O)CN(C)C(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is SJZLKJZFSKATAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-17(5-2)12(18)10-16(3)13(19)14(11-15)8-6-7-9-14/h4-11,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide?
1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 55037765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).