N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine

C16H26N2O — CID 105075597

IUPACN-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1OCC1CCCCC1
InChIInChI=1S/C16H26N2O/c1-2-9-17-11-15-8-10-18-12-16(15)19-13-14-6-4-3-5-7-14/h8,10,12,14,17H,2-7,9,11,13H2,1H3
InChIKeyAZKLYSUSKHODAT-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.54
Rot. Bonds7

About N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine

N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105075597) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105075597
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1OCC1CCCCC1
InChIInChI=1S/C16H26N2O/c1-2-9-17-11-15-8-10-18-12-16(15)19-13-14-6-4-3-5-7-14/h8,10,12,14,17H,2-7,9,11,13H2,1H3
InChIKeyAZKLYSUSKHODAT-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
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-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105075716
[3-(cyclopentylmethoxy)-4-pyridinyl]methanol
CID 105067194
N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075013
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420
N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075090
N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine
CID 105063370
N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075242
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
3-(cyclopentylmethoxy)-4-fluoropyridine
CID 142361626
N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 81254393
N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62292023

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine (CID 105075597) is N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccncc1OCC1CCCCC1.
What is the InChIKey of N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is AZKLYSUSKHODAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-9-17-11-15-8-10-18-12-16(15)19-13-14-6-4-3-5-7-14/h8,10,12,14,17H,2-7,9,11,13H2,1H3.
What are the key properties of N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine?
N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105075597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).