3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine

C16H26N2O — CID 80707820

IUPAC3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCc1ccc(CNCCCOC2CCCCC2)nc1
InChIInChI=1S/C16H26N2O/c1-14-8-9-15(18-12-14)13-17-10-5-11-19-16-6-3-2-4-7-16/h8-9,12,16-17H,2-7,10-11,13H2,1H3
InChIKeyMZRIWHKXQRWPBC-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.22
Rot. Bonds7

About 3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine

3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 80707820) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID80707820
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCc1ccc(CNCCCOC2CCCCC2)nc1
InChIInChI=1S/C16H26N2O/c1-14-8-9-15(18-12-14)13-17-10-5-11-19-16-6-3-2-4-7-16/h8-9,12,16-17H,2-7,10-11,13H2,1H3
InChIKeyMZRIWHKXQRWPBC-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.22
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

3-cyclohexyloxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781680
N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 80708453
3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696926
N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681
N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848
N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 81313009
3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28720311
3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 63645848
3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663329
4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 115698997
2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708858
3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
CID 28878150

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine (CID 80707820) is 3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine is Cc1ccc(CNCCCOC2CCCCC2)nc1.
What is the InChIKey of 3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is MZRIWHKXQRWPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-8-9-15(18-12-14)13-17-10-5-11-19-16-6-3-2-4-7-16/h8-9,12,16-17H,2-7,10-11,13H2,1H3.
What are the key properties of 3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine?
3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 80707820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).