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

Name: 3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₆N₂O — CID 80707820

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID	80707820
Molecular Formula	C₁₆H₂₆N₂O
Molecular Weight	262.40 g/mol
Exact Mass	262.20
IUPAC Name	3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
SMILES	Cc1ccc(CNCCCOC2CCCCC2)nc1
InChI	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
InChIKey	MZRIWHKXQRWPBC-UHFFFAOYSA-N
XLogP	3.22
TPSA	34.15 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	7
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.40
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 80707820 — identifiers, structure, computed properties (public domain)

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