N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine

C14H27NO2 — CID 106662772

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCOC1(CNC2CC(C)(C)CC2C)CCOC1
InChIInChI=1S/C14H27NO2/c1-11-7-13(2,3)8-12(11)15-9-14(16-4)5-6-17-10-14/h11-12,15H,5-10H2,1-4H3
InChIKeyGERGOTLHQDQZJG-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.21
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine

N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106662772) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106662772
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCOC1(CNC2CC(C)(C)CC2C)CCOC1
InChIInChI=1S/C14H27NO2/c1-11-7-13(2,3)8-12(11)15-9-14(16-4)5-6-17-10-14/h11-12,15H,5-10H2,1-4H3
InChIKeyGERGOTLHQDQZJG-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine with MolForge

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 121518187
2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]cyclopentan-1-amine
CID 84589228
(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
CID 97108283
(3R)-3-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
CID 97108284
(3S)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
CID 97108285
(3S)-3-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
CID 97108286
(1S)-2,2-dimethyl-N-[3-[(3R)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine
CID 97233271
(1R)-2,2-dimethyl-N-[3-[(3R)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine
CID 97233272
(1S)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine
CID 97233273
(1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine
CID 97233274
cis-(1S,2R)-N-[2-(2-methoxyethoxy)ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 99836181
trans-(1S,2S)-N-[2-(2-methoxyethoxy)ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 99836182

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine (CID 106662772) is N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine is COC1(CNC2CC(C)(C)CC2C)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is GERGOTLHQDQZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-7-13(2,3)8-12(11)15-9-14(16-4)5-6-17-10-14/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106662772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).