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

C12H16N2O — CID 62142011

IUPACN-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1cccnc1OC(C)C
InChIInChI=1S/C12H16N2O/c1-4-7-13-9-11-6-5-8-14-12(11)15-10(2)3/h1,5-6,8,10,13H,7,9H2,2-3H3
InChIKeyGCHSFSDLFVFHTR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.59
Rot. Bonds5

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

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine (PubChem CID 62142011) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
PubChem CID62142011
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1cccnc1OC(C)C
InChIInChI=1S/C12H16N2O/c1-4-7-13-9-11-6-5-8-14-12(11)15-10(2)3/h1,5-6,8,10,13H,7,9H2,2-3H3
InChIKeyGCHSFSDLFVFHTR-UHFFFAOYSA-N
XLogP1.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
3-chloro-2-[[(2-propan-2-yloxy-3-pyridinyl)methylamino]methyl]phenol
CID 78959442
2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61483713
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62742368
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 63984677
3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine
CID 115709816
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62756157
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 107911473

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine?
The IUPAC name of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine (CID 62142011) is N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine is C#CCNCc1cccnc1OC(C)C.
What is the InChIKey of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine?
The InChIKey is GCHSFSDLFVFHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-4-7-13-9-11-6-5-8-14-12(11)15-10(2)3/h1,5-6,8,10,13H,7,9H2,2-3H3.
What are the key properties of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine?
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine has a molecular weight of 204.27 g/mol, XLogP of 1.59, 5 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]prop-2-yn-1-amine is sourced from PubChem (CID 62142011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).