5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide

C14H27N3O2 — CID 83110105

IUPAC5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCC(CN)O2)CCCC1
InChIInChI=1S/C14H27N3O2/c1-17(2)14(7-3-4-8-14)10-16-13(18)12-6-5-11(9-15)19-12/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyORHPEJKFUHIQRV-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.48
Rot. Bonds5

About 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide

5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide (PubChem CID 83110105) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide
PubChem CID83110105
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCC(CN)O2)CCCC1
InChIInChI=1S/C14H27N3O2/c1-17(2)14(7-3-4-8-14)10-16-13(18)12-6-5-11(9-15)19-12/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyORHPEJKFUHIQRV-UHFFFAOYSA-N
XLogP0.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120798867
(2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide
CID 120800926
5-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688874
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120792797
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]oxolane-2-carboxamide
CID 120794770
(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide
CID 120794756
1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450789
(2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 120796422
(2S,5R)-5-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120795481
(2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796417
1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442661
(2S,5R)-5-(aminomethyl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120789842

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide (CID 83110105) is 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide is CN(C)C1(CNC(=O)C2CCC(CN)O2)CCCC1.
What is the InChIKey of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide?
The InChIKey is ORHPEJKFUHIQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-17(2)14(7-3-4-8-14)10-16-13(18)12-6-5-11(9-15)19-12/h11-12H,3-10,15H2,1-2H3,(H,16,18).
What are the key properties of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide?
5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 83110105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).