N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide

C13H26N2O2 — CID 103022557

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NCC1(CN)CCCC1
InChIInChI=1S/C13H26N2O2/c1-12(2,17-3)8-11(16)15-10-13(9-14)6-4-5-7-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyAOPFWCAHMRBDOC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide (PubChem CID 103022557) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide
PubChem CID103022557
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NCC1(CN)CCCC1
InChIInChI=1S/C13H26N2O2/c1-12(2,17-3)8-11(16)15-10-13(9-14)6-4-5-7-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyAOPFWCAHMRBDOC-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604290
N-[[1-(aminomethyl)cyclopentyl]methyl]acetamide
CID 115365421
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide
CID 103970115
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941625
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide
CID 113295139
N-[[1-(aminomethyl)cyclopentyl]methyl]heptanamide
CID 114754126
N-[4-(aminomethyl)oxan-4-yl]-3-methoxy-3-methylbutanamide
CID 106297328
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212976
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 115365476
N,3-dimethoxy-3-methylbutanamide
CID 103021007
2-(1-aminocyclohexyl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 113450228
N-(6-aminohexyl)-3-methoxy-3-methylbutanamide
CID 107843909

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide (CID 103022557) is N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)NCC1(CN)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide?
The InChIKey is AOPFWCAHMRBDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,17-3)8-11(16)15-10-13(9-14)6-4-5-7-13/h4-10,14H2,1-3H3,(H,15,16).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103022557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).