N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine

C14H22N2O2 — CID 81254203

IUPACN-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1OC1CCOCC1
InChIInChI=1S/C14H22N2O2/c1-11(2)16-10-12-9-15-6-3-14(12)18-13-4-7-17-8-5-13/h3,6,9,11,13,16H,4-5,7-8,10H2,1-2H3
InChIKeyBZJIAIYIMORRQM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds5

About N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine

N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81254203) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID81254203
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1OC1CCOCC1
InChIInChI=1S/C14H22N2O2/c1-11(2)16-10-12-9-15-6-3-14(12)18-13-4-7-17-8-5-13/h3,6,9,11,13,16H,4-5,7-8,10H2,1-2H3
InChIKeyBZJIAIYIMORRQM-UHFFFAOYSA-N
XLogP2.14
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine
CID 81251241
N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
CID 81254870
N-methyl-1-[4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 81254419
N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
CID 81250789
4-(chloromethyl)-3-(oxan-4-yloxy)pyridine
CID 105067700
3-(oxan-4-yloxy)pyridin-4-amine
CID 126982739
N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 81251005
2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250243
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 81250615
N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
CID 55204170

Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine (CID 81254203) is N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cnccc1OC1CCOCC1.
What is the InChIKey of N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is BZJIAIYIMORRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)16-10-12-9-15-6-3-14(12)18-13-4-7-17-8-5-13/h3,6,9,11,13,16H,4-5,7-8,10H2,1-2H3.
What are the key properties of N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 250.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81254203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).