3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C15H27N3O2 — CID 114399994

IUPAC3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN1CCOC(CNC(=O)C2C3CCC(C3)C2N)C1
InChIInChI=1S/C15H27N3O2/c1-2-18-5-6-20-12(9-18)8-17-15(19)13-10-3-4-11(7-10)14(13)16/h10-14H,2-9,16H2,1H3,(H,17,19)
InChIKeyNLGVFROHPMRNBY-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.20
Rot. Bonds4

About 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 114399994) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID114399994
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN1CCOC(CNC(=O)C2C3CCC(C3)C2N)C1
InChIInChI=1S/C15H27N3O2/c1-2-18-5-6-20-12(9-18)8-17-15(19)13-10-3-4-11(7-10)14(13)16/h10-14H,2-9,16H2,1H3,(H,17,19)
InChIKeyNLGVFROHPMRNBY-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-benzylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119829834
3-amino-N-[(4-benzylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119829833
2-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 115976418
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114
N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide
CID 114399899
2-(cyclopropylamino)-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
CID 115976412
(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 104921013
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
N-[(4-ethylmorpholin-2-yl)methyl]-2-piperazin-1-ylacetamide
CID 114399910
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 114399963
cyclopentyl N-[(4-ethylmorpholin-2-yl)methyl]carbamate
CID 112738868
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide
CID 114399970

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 114399994) is 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is CCN1CCOC(CNC(=O)C2C3CCC(C3)C2N)C1.
What is the InChIKey of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NLGVFROHPMRNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-18-5-6-20-12(9-18)8-17-15(19)13-10-3-4-11(7-10)14(13)16/h10-14H,2-9,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 114399994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).