3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine

C16H26N2O2 — CID 65163837

IUPAC3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCC(C)Oc1ncccc1CNCCCC1CCCO1
InChIInChI=1S/C16H26N2O2/c1-13(2)20-16-14(6-3-10-18-16)12-17-9-4-7-15-8-5-11-19-15/h3,6,10,13,15,17H,4-5,7-9,11-12H2,1-2H3
InChIKeyFLTVGJNKTNTHPE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.92
Rot. Bonds8

About 3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine

3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 65163837) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID65163837
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCC(C)Oc1ncccc1CNCCCC1CCCO1
InChIInChI=1S/C16H26N2O2/c1-13(2)20-16-14(6-3-10-18-16)12-17-9-4-7-15-8-5-11-19-15/h3,6,10,13,15,17H,4-5,7-9,11-12H2,1-2H3
InChIKeyFLTVGJNKTNTHPE-UHFFFAOYSA-N
XLogP2.92
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 65164038
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[[2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291426
2-methyl-N-[[2-(oxan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291392
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide
CID 55780551
2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158500
2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61483713
N-[(6-methyl-2-pyridinyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163956
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
N-[(2-nitrophenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163634

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine (CID 65163837) is 3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine is CC(C)Oc1ncccc1CNCCCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is FLTVGJNKTNTHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)20-16-14(6-3-10-18-16)12-17-9-4-7-15-8-5-11-19-15/h3,6,10,13,15,17H,4-5,7-9,11-12H2,1-2H3.
What are the key properties of 3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 65163837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).