N,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine

C17H28N2O2 — CID 117065639

IUPACN,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine
SMILESCN(C)CC(CCCOC1CCCCO1)c1ccccn1
InChIInChI=1S/C17H28N2O2/c1-19(2)14-15(16-9-3-5-11-18-16)8-7-13-21-17-10-4-6-12-20-17/h3,5,9,11,15,17H,4,6-8,10,12-14H2,1-2H3
InChIKeyYYCZUUUEUWNRIS-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.05
Rot. Bonds8

About N,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine

N,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine (PubChem CID 117065639) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine
PubChem CID117065639
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine
SMILESCN(C)CC(CCCOC1CCCCO1)c1ccccn1
InChIInChI=1S/C17H28N2O2/c1-19(2)14-15(16-9-3-5-11-18-16)8-7-13-21-17-10-4-6-12-20-17/h3,5,9,11,15,17H,4,6-8,10,12-14H2,1-2H3
InChIKeyYYCZUUUEUWNRIS-UHFFFAOYSA-N
XLogP3.05
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.05
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

1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine
CID 124872483
2-[(Z)-6-(oxan-2-yloxy)hex-1-enyl]pyridine
CID 10355306
2-(6-methylheptoxy)oxane
CID 139685112
(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(3-trityloxypropoxy)oxane
CID 101461782
2-[4-(4-methylphenyl)pentoxy]oxane
CID 13212687
2-(12-chlorododecoxy)oxane
CID 14014573
2-(2-phenoxyethoxy)oxane
CID 11736193
(8R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 100668970
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
CID 67866640

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine?
The IUPAC name of N,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine (CID 117065639) is N,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine.
What is the SMILES notation for N,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine?
The canonical SMILES for N,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine is CN(C)CC(CCCOC1CCCCO1)c1ccccn1.
What is the InChIKey of N,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine?
The InChIKey is YYCZUUUEUWNRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-19(2)14-15(16-9-3-5-11-18-16)8-7-13-21-17-10-4-6-12-20-17/h3,5,9,11,15,17H,4,6-8,10,12-14H2,1-2H3.
What are the key properties of N,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine?
N,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine is sourced from PubChem (CID 117065639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).