1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine

C12H20N2O — CID 79799813

IUPAC1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine
SMILESCCC(C)Oc1ccc(CC(C)N)nc1
InChIInChI=1S/C12H20N2O/c1-4-10(3)15-12-6-5-11(14-8-12)7-9(2)13/h5-6,8-10H,4,7,13H2,1-3H3
InChIKeyKVHRPQDOZMOWPE-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.15
Rot. Bonds5

About 1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine

1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine (PubChem CID 79799813) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine
PubChem CID79799813
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine
SMILESCCC(C)Oc1ccc(CC(C)N)nc1
InChIInChI=1S/C12H20N2O/c1-4-10(3)15-12-6-5-11(14-8-12)7-9(2)13/h5-6,8-10H,4,7,13H2,1-3H3
InChIKeyKVHRPQDOZMOWPE-UHFFFAOYSA-N
XLogP2.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-pentoxy-2-pyridinyl)propan-2-amine
CID 79799904
1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine
CID 114012794
1-(5-hexoxy-2-pyridinyl)propan-2-amine
CID 79800440
1-(5-decoxy-2-pyridinyl)propan-2-amine
CID 79790628
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]propanamide
CID 79796082
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124422
1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124338
(1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine
CID 143563136
1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine
CID 79799433
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876
1-[5-(2-fluoroethoxy)-2-pyridinyl]propan-2-amine
CID 80694475
1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine
CID 79795581

Frequently Asked Questions

What is the IUPAC name of 1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine?
The IUPAC name of 1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine (CID 79799813) is 1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine is CCC(C)Oc1ccc(CC(C)N)nc1.
What is the InChIKey of 1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine?
The InChIKey is KVHRPQDOZMOWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-10(3)15-12-6-5-11(14-8-12)7-9(2)13/h5-6,8-10H,4,7,13H2,1-3H3.
What are the key properties of 1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine?
1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 79799813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).