4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide

C14H26N2O2 — CID 79870065

IUPAC4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide
SMILESCC1(C)CCCC1NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C14H26N2O2/c1-13(2)5-3-4-11(13)16-12(17)14(10-15)6-8-18-9-7-14/h11H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyKTKZWLZOTRFGTL-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.44
Rot. Bonds3

About 4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide

4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide (PubChem CID 79870065) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide
PubChem CID79870065
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide
SMILESCC1(C)CCCC1NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C14H26N2O2/c1-13(2)5-3-4-11(13)16-12(17)14(10-15)6-8-18-9-7-14/h11H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyKTKZWLZOTRFGTL-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide
CID 80598202
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide
CID 80598318
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide
CID 80598201
4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
CID 62396747
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
CID 63363409
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213565
4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide
CID 63995716
4-(aminomethyl)oxane-4-carbohydrazide
CID 115439594
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120935393
1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79872847

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide (CID 79870065) is 4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide is CC1(C)CCCC1NC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide?
The InChIKey is KTKZWLZOTRFGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2)5-3-4-11(13)16-12(17)14(10-15)6-8-18-9-7-14/h11H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide is sourced from PubChem (CID 79870065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).