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

C12H20N2O — CID 81254870

IUPACN-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1OC(C)C
InChIInChI=1S/C12H20N2O/c1-9(2)14-8-11-7-13-6-5-12(11)15-10(3)4/h5-7,9-10,14H,8H2,1-4H3
InChIKeyAFPGRDPHJHKCMA-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.37
Rot. Bonds5

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

N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine (PubChem CID 81254870) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
PubChem CID81254870
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1OC(C)C
InChIInChI=1S/C12H20N2O/c1-9(2)14-8-11-7-13-6-5-12(11)15-10(3)4/h5-7,9-10,14H,8H2,1-4H3
InChIKeyAFPGRDPHJHKCMA-UHFFFAOYSA-N
XLogP2.37
TPSA34.15 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 115505738
N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250914
N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254203
3-pentyl-4-propan-2-yloxypyridine
CID 54537415
N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250377
2-methyl-N-[[4-(3-methylbutan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81251051
N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
CID 105075109
4-ethyl-3-propan-2-yloxypyridine
CID 123491232
N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 81251005
N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine
CID 67429738
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
3-methoxy-4-propan-2-yloxypyridine
CID 167334924

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine (CID 81254870) is N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine is CC(C)NCc1cnccc1OC(C)C.
What is the InChIKey of N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is AFPGRDPHJHKCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)14-8-11-7-13-6-5-12(11)15-10(3)4/h5-7,9-10,14H,8H2,1-4H3.
What are the key properties of N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine?
N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 81254870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).