4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine

C12H20N2O — CID 21156680

IUPAC4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine
SMILESCC(C)OCCCC(N)c1cccnc1
InChIInChI=1S/C12H20N2O/c1-10(2)15-8-4-6-12(13)11-5-3-7-14-9-11/h3,5,7,9-10,12H,4,6,8,13H2,1-2H3
InChIKeyWAIOZSOKXMINPN-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.29
Rot. Bonds6

About 4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine

4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine (PubChem CID 21156680) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine
PubChem CID21156680
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine
SMILESCC(C)OCCCC(N)c1cccnc1
InChIInChI=1S/C12H20N2O/c1-10(2)15-8-4-6-12(13)11-5-3-7-14-9-11/h3,5,7,9-10,12H,4,6,8,13H2,1-2H3
InChIKeyWAIOZSOKXMINPN-UHFFFAOYSA-N
XLogP2.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.29
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

(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729
4-amino-4-pyridin-3-ylbutan-1-ol
CID 85412290
4-methoxy-1-pyridin-3-ylpentan-1-amine
CID 105098535
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
(1S)-1-pyridin-3-ylpentane-1,5-diamine;hydrochloride
CID 171221036
(1R)-3-fluoro-1-pyridin-3-ylpropan-1-amine;hydrochloride
CID 171201508
methyl (5S)-5-amino-5-pyridin-3-ylpentanoate
CID 52951908
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 81059160
4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid
CID 154943553
3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 62602759
3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine
CID 54971173

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine?
The IUPAC name of 4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine (CID 21156680) is 4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine.
What is the SMILES notation for 4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine?
The canonical SMILES for 4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine is CC(C)OCCCC(N)c1cccnc1.
What is the InChIKey of 4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine?
The InChIKey is WAIOZSOKXMINPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)15-8-4-6-12(13)11-5-3-7-14-9-11/h3,5,7,9-10,12H,4,6,8,13H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine?
4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine is sourced from PubChem (CID 21156680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).