2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide

C16H31N3O2 — CID 63097786

IUPAC2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide
SMILESCCCN(CC(=O)NC1CCOCC1)C1(CN)CCCC1
InChIInChI=1S/C16H31N3O2/c1-2-9-19(16(13-17)7-3-4-8-16)12-15(20)18-14-5-10-21-11-6-14/h14H,2-13,17H2,1H3,(H,18,20)
InChIKeyPVIHGWBPCLTUKR-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.27
Rot. Bonds7

About 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide

2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide (PubChem CID 63097786) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide
PubChem CID63097786
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide
SMILESCCCN(CC(=O)NC1CCOCC1)C1(CN)CCCC1
InChIInChI=1S/C16H31N3O2/c1-2-9-19(16(13-17)7-3-4-8-16)12-15(20)18-14-5-10-21-11-6-14/h14H,2-13,17H2,1H3,(H,18,20)
InChIKeyPVIHGWBPCLTUKR-UHFFFAOYSA-N
XLogP1.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide
CID 62007948
2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
CID 62007739
2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide
CID 63099178
2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide
CID 62006019
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62009544
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide
CID 62007304
1-[1-(aminomethyl)cyclopentyl]-3-cyclobutyl-1-propylurea
CID 116658167
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone
CID 62010554
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide
CID 62007946
4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide
CID 63890957
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide
CID 107494585
2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide
CID 102636606

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide (CID 63097786) is 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide is CCCN(CC(=O)NC1CCOCC1)C1(CN)CCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is PVIHGWBPCLTUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-2-9-19(16(13-17)7-3-4-8-16)12-15(20)18-14-5-10-21-11-6-14/h14H,2-13,17H2,1H3,(H,18,20).
What are the key properties of 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide?
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 297.44 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63097786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).