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

C12H20N2O — CID 61373669

IUPACN-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cccnc1OC(C)C
InChIInChI=1S/C12H20N2O/c1-4-7-13-9-11-6-5-8-14-12(11)15-10(2)3/h5-6,8,10,13H,4,7,9H2,1-3H3
InChIKeySNMKCCUONYFQKR-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.37
Rot. Bonds6

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

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 61373669) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID61373669
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cccnc1OC(C)C
InChIInChI=1S/C12H20N2O/c1-4-7-13-9-11-6-5-8-14-12(11)15-10(2)3/h5-6,8,10,13H,4,7,9H2,1-3H3
InChIKeySNMKCCUONYFQKR-UHFFFAOYSA-N
XLogP2.37
TPSA34.15 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 ≤ 52.37
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

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291948
2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61483713
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 114527554
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132
N,N-diethyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetamide
CID 61374984
N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide
CID 77031333
N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62292023

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine (CID 61373669) is N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine is CCCNCc1cccnc1OC(C)C.
What is the InChIKey of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is SNMKCCUONYFQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-7-13-9-11-6-5-8-14-12(11)15-10(2)3/h5-6,8,10,13H,4,7,9H2,1-3H3.
What are the key properties of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 61373669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).