N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine

C15H24N2O — CID 104581823

IUPACN-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCc1cccnc1OC(C)C
InChIInChI=1S/C15H24N2O/c1-5-6-8-13(4)17-11-14-9-7-10-16-15(14)18-12(2)3/h5,7,9-10,12-13,17H,1,6,8,11H2,2-4H3
InChIKeyPORJSVKETVGPHK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.31
Rot. Bonds8

About N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine (PubChem CID 104581823) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine
PubChem CID104581823
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCc1cccnc1OC(C)C
InChIInChI=1S/C15H24N2O/c1-5-6-8-13(4)17-11-14-9-7-10-16-15(14)18-12(2)3/h5,7,9-10,12-13,17H,1,6,8,11H2,2-4H3
InChIKeyPORJSVKETVGPHK-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine
CID 115709816
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-(pyridin-2-ylmethyl)hex-5-en-2-amine
CID 75525482
1-(4-chlorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61372938
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61374587
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine
CID 103561785
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
(1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 97230181

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine?
The IUPAC name of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine (CID 104581823) is N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine?
The canonical SMILES for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine is C=CCCC(C)NCc1cccnc1OC(C)C.
What is the InChIKey of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine?
The InChIKey is PORJSVKETVGPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-6-8-13(4)17-11-14-9-7-10-16-15(14)18-12(2)3/h5,7,9-10,12-13,17H,1,6,8,11H2,2-4H3.
What are the key properties of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine?
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine has a molecular weight of 248.37 g/mol, XLogP of 3.31, 8 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]hex-5-en-2-amine is sourced from PubChem (CID 104581823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).