N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine

C13H27NO — CID 116539412

IUPACN-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(CCCCOC)C1
InChIInChI=1S/C13H27NO/c1-4-14-12-7-9-13(2,11-12)8-5-6-10-15-3/h12,14H,4-11H2,1-3H3
InChIKeyXHNQXENZWUZRKE-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine

N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine (PubChem CID 116539412) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine
PubChem CID116539412
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(CCCCOC)C1
InChIInChI=1S/C13H27NO/c1-4-14-12-7-9-13(2,11-12)8-5-6-10-15-3/h12,14H,4-11H2,1-3H3
InChIKeyXHNQXENZWUZRKE-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine
CID 116539636
N-ethyl-4-(4-methoxybutoxy)cyclohexan-1-amine
CID 104647209
1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
CID 104646719
N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 113362658
3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane
CID 116540660
N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine
CID 65194954
3-(4-methoxybutyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171952054
N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 116539384
3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine
CID 114477339
N-ethyl-3-methoxy-3-methylcyclobutan-1-amine
CID 163461542
N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
CID 104649326
3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane
CID 116540323

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine (CID 116539412) is N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine is CCNC1CCC(C)(CCCCOC)C1.
What is the InChIKey of N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine?
The InChIKey is XHNQXENZWUZRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-14-12-7-9-13(2,11-12)8-5-6-10-15-3/h12,14H,4-11H2,1-3H3.
What are the key properties of N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine?
N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 116539412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).