(6-pentoxy-2-pyridinyl)methanamine

C11H18N2O — CID 62292615

IUPAC(6-pentoxy-2-pyridinyl)methanamine
SMILESCCCCCOc1cccc(CN)n1
InChIInChI=1S/C11H18N2O/c1-2-3-4-8-14-11-7-5-6-10(9-12)13-11/h5-7H,2-4,8-9,12H2,1H3
InChIKeyGKZFGVBLGCOQGW-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.11
Rot. Bonds6

About (6-pentoxy-2-pyridinyl)methanamine

(6-pentoxy-2-pyridinyl)methanamine (PubChem CID 62292615) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (6-pentoxy-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-pentoxy-2-pyridinyl)methanamine
PubChem CID62292615
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(6-pentoxy-2-pyridinyl)methanamine
SMILESCCCCCOc1cccc(CN)n1
InChIInChI=1S/C11H18N2O/c1-2-3-4-8-14-11-7-5-6-10(9-12)13-11/h5-7H,2-4,8-9,12H2,1H3
InChIKeyGKZFGVBLGCOQGW-UHFFFAOYSA-N
XLogP2.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-6-heptoxypyridine
CID 63446220
1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
CID 62291660
2,6-dibutoxypyridine
CID 67437244
2-methyl-6-pentoxypyridine
CID 165358855
N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
CID 55058638
N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55058295
6-pentoxypyridine-2-carbonitrile
CID 64594194
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
(6-butyl-2-pyridinyl)methanamine
CID 67813294
6-heptoxypyridine-2-carboximidamide
CID 64594210
N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 55058967
3-nonoxy-8-octoxy-4,7-phenanthroline
CID 21267382

Frequently Asked Questions

What is the IUPAC name of (6-pentoxy-2-pyridinyl)methanamine?
The IUPAC name of (6-pentoxy-2-pyridinyl)methanamine (CID 62292615) is (6-pentoxy-2-pyridinyl)methanamine.
What is the SMILES notation for (6-pentoxy-2-pyridinyl)methanamine?
The canonical SMILES for (6-pentoxy-2-pyridinyl)methanamine is CCCCCOc1cccc(CN)n1.
What is the InChIKey of (6-pentoxy-2-pyridinyl)methanamine?
The InChIKey is GKZFGVBLGCOQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-4-8-14-11-7-5-6-10(9-12)13-11/h5-7H,2-4,8-9,12H2,1H3.
What are the key properties of (6-pentoxy-2-pyridinyl)methanamine?
(6-pentoxy-2-pyridinyl)methanamine has a molecular weight of 194.28 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pentoxy-2-pyridinyl)methanamine is sourced from PubChem (CID 62292615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).