5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine

C17H28N2O3 — CID 134330667

IUPAC5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine
SMILESCOCCCOc1cc(C2CCC(C)(C)C2N)cnc1OC
InChIInChI=1S/C17H28N2O3/c1-17(2)7-6-13(15(17)18)12-10-14(16(21-4)19-11-12)22-9-5-8-20-3/h10-11,13,15H,5-9,18H2,1-4H3
InChIKeyYDNCKYMCMTXWMZ-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.74
Rot. Bonds7

About 5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine

5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 134330667) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID134330667
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine
SMILESCOCCCOc1cc(C2CCC(C)(C)C2N)cnc1OC
InChIInChI=1S/C17H28N2O3/c1-17(2)7-6-13(15(17)18)12-10-14(16(21-4)19-11-12)22-9-5-8-20-3/h10-11,13,15H,5-9,18H2,1-4H3
InChIKeyYDNCKYMCMTXWMZ-UHFFFAOYSA-N
XLogP2.74
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine
CID 126507338
7-chloro-8-(3-methoxypropoxy)-3,3-dimethyl-1,2,3a,9b-tetrahydrocyclopenta[c]isoquinoline
CID 130338749
(9bS)-7-chloro-8-(3-methoxypropoxy)-3,3-dimethyl-1,2,3a,9b-tetrahydrocyclopenta[c]isoquinoline
CID 130354864
2-methoxy-3-(2-methoxyethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 154897683
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-(cyclopropylmethyl)-4-hydroxy-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 67593104
1-[[(3S,5S,6S,8S)-8-(cyclopropylmethylcarbamoyl)-6-hydroxy-3-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-2,9-dimethyldecan-5-yl]carbamoyloxy]ethyl 2-methylpropanoate
CID 69176601
(2S,6S)-10-methoxy-9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-1,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 159794720
[3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine
CID 103176702
[(6S)-6-amino-3-(cyclopropylmethylcarbamoyl)-8-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-2,9-dimethyldecan-5-yl] 2-amino-3-methylbutanoate
CID 67594181
(2S,6R)-16-acetyl-14-fluoro-10-methoxy-9-(3-methoxypropoxy)-3,3-dimethyl-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaen-15-one
CID 130354819
5-[2-(3-methoxypropoxy)ethoxy]pyridin-3-amine
CID 103176470
4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid
CID 81225924

Frequently Asked Questions

What is the IUPAC name of 5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine (CID 134330667) is 5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine is COCCCOc1cc(C2CCC(C)(C)C2N)cnc1OC.
What is the InChIKey of 5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is YDNCKYMCMTXWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-17(2)7-6-13(15(17)18)12-10-14(16(21-4)19-11-12)22-9-5-8-20-3/h10-11,13,15H,5-9,18H2,1-4H3.
What are the key properties of 5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine?
5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 308.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 134330667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).