N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine

C25H40N2O2 — CID 68577910

IUPACN-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine
SMILESCN(CC1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1)C1CCCC1
InChIInChI=1S/C25H40N2O2/c1-26(23-7-2-3-8-23)21-25(13-19-28-20-14-25)22-9-11-24(12-10-22)29-18-6-17-27-15-4-5-16-27/h9-12,23H,2-8,13-21H2,1H3
InChIKeyLHFZKDAWTYMZPM-UHFFFAOYSA-N
MW400.61 g/mol
LogP4.47
Rot. Bonds9

About N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine

N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine (PubChem CID 68577910) has the molecular formula C25H40N2O2 and a molecular weight of 400.61 g/mol. Its IUPAC name is N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine
PubChem CID68577910
Molecular FormulaC25H40N2O2
Molecular Weight400.61 g/mol
Exact Mass400.31
IUPAC NameN-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine
SMILESCN(CC1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1)C1CCCC1
InChIInChI=1S/C25H40N2O2/c1-26(23-7-2-3-8-23)21-25(13-19-28-20-14-25)22-9-11-24(12-10-22)29-18-6-17-27-15-4-5-16-27/h9-12,23H,2-8,13-21H2,1H3
InChIKeyLHFZKDAWTYMZPM-UHFFFAOYSA-N
XLogP4.47
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclohexanamine
CID 68576619
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]ethanamine
CID 11653402
N,N,N'-trimethyl-N'-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]ethane-1,2-diamine
CID 68576692
N,N-dimethyl-1-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine;N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-amine
CID 158206148
[4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine
CID 11515488
4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]morpholine
CID 11545550
4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol
CID 23091669
1-[4-[4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine
CID 68578158
N,N-dimethyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68575652
(Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine
CID 173480711
N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine
CID 90860071
1-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine
CID 59837542

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine?
The IUPAC name of N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine (CID 68577910) is N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine?
The canonical SMILES for N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine is CN(CC1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1)C1CCCC1.
What is the InChIKey of N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine?
The InChIKey is LHFZKDAWTYMZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O2/c1-26(23-7-2-3-8-23)21-25(13-19-28-20-14-25)22-9-11-24(12-10-22)29-18-6-17-27-15-4-5-16-27/h9-12,23H,2-8,13-21H2,1H3.
What are the key properties of N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine?
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine has a molecular weight of 400.61 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine is sourced from PubChem (CID 68577910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).