N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine

C14H26N2O — CID 114411088

IUPACN-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine
SMILESCOCC1=CCN(CCNC2CCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-17-12-13-6-9-16(10-7-13)11-8-15-14-4-2-3-5-14/h6,14-15H,2-5,7-12H2,1H3
InChIKeyUVRUAPHJNJEVCI-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.80
Rot. Bonds6

About N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine

N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine (PubChem CID 114411088) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine
PubChem CID114411088
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine
SMILESCOCC1=CCN(CCNC2CCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-17-12-13-6-9-16(10-7-13)11-8-15-14-4-2-3-5-14/h6,14-15H,2-5,7-12H2,1H3
InChIKeyUVRUAPHJNJEVCI-UHFFFAOYSA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 102776256
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 103227336
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpropan-1-amine
CID 103227337
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-2-amine
CID 103227338
N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227339
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine
CID 103227340
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropan-1-amine
CID 103227341
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227342
4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 106976552
4-(methoxymethyl)-1-[(4-methoxypyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 113581617
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4,4-dimethylpentan-3-amine
CID 113581621
7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-amine
CID 113581631

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine (CID 114411088) is N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine is COCC1=CCN(CCNC2CCCC2)CC1.
What is the InChIKey of N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine?
The InChIKey is UVRUAPHJNJEVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-17-12-13-6-9-16(10-7-13)11-8-15-14-4-2-3-5-14/h6,14-15H,2-5,7-12H2,1H3.
What are the key properties of N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine?
N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine has a molecular weight of 238.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentanamine is sourced from PubChem (CID 114411088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).