N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine

C13H27NO2 — CID 103409528

IUPACN-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine
SMILESCOCCOCCCNC1CCC(C)C1C
InChIInChI=1S/C13H27NO2/c1-11-5-6-13(12(11)2)14-7-4-8-16-10-9-15-3/h11-14H,4-10H2,1-3H3
InChIKeyLNRFIRDPRXHYDN-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.06
Rot. Bonds8

About N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine

N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 103409528) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID103409528
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine
SMILESCOCCOCCCNC1CCC(C)C1C
InChIInChI=1S/C13H27NO2/c1-11-5-6-13(12(11)2)14-7-4-8-16-10-9-15-3/h11-14H,4-10H2,1-3H3
InChIKeyLNRFIRDPRXHYDN-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.06
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

N-[3-(2-methoxyethoxy)propyl]-2,6-dimethylcyclohexan-1-amine
CID 43183035
N-[3-(2-methoxyethoxy)propyl]-3,5-dimethylcyclohexan-1-amine
CID 64724806
N-[3-(2-methoxyethoxy)propyl]piperidin-4-amine
CID 61016689
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
CID 103237165
N-[3-(2-methoxyethoxy)propyl]-1-methylpiperidin-4-amine
CID 28720517
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylcycloheptan-1-amine
CID 104562465
N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine
CID 64774982
trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol
CID 131701462
N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046821
N-[3-(2-methoxyethoxy)propyl]-4-methylcycloheptan-1-amine
CID 65081277
2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 64774993

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine (CID 103409528) is N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine is COCCOCCCNC1CCC(C)C1C.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is LNRFIRDPRXHYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11-5-6-13(12(11)2)14-7-4-8-16-10-9-15-3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine?
N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 103409528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).