N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine

C12H25NO2 — CID 115891950

IUPACN-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine
SMILESCOCCOCC(C)NC1CCC(C)C1
InChIInChI=1S/C12H25NO2/c1-10-4-5-12(8-10)13-11(2)9-15-7-6-14-3/h10-13H,4-9H2,1-3H3
InChIKeyHDCUNCLAKUVBPI-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds7

About N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine

N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine (PubChem CID 115891950) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine
PubChem CID115891950
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine
SMILESCOCCOCC(C)NC1CCC(C)C1
InChIInChI=1S/C12H25NO2/c1-10-4-5-12(8-10)13-11(2)9-15-7-6-14-3/h10-13H,4-9H2,1-3H3
InChIKeyHDCUNCLAKUVBPI-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine
CID 95368713
N-[1-(2-methoxyethoxy)propan-2-yl]-1,5-dimethylpyrrolidin-3-amine
CID 115891981
(2S)-2-[(3-methylcyclopentyl)amino]propan-1-ol
CID 103773858
(2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol
CID 95368773
N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine
CID 103271735
N-(1-methoxypropan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115664082
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 95368704
N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine
CID 103081083
N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine
CID 64501539
4-(1-methoxypropan-2-ylamino)cyclohexan-1-ol
CID 62535244

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine (CID 115891950) is N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine is COCCOCC(C)NC1CCC(C)C1.
What is the InChIKey of N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine?
The InChIKey is HDCUNCLAKUVBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10-4-5-12(8-10)13-11(2)9-15-7-6-14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine?
N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 115891950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).