N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine

C16H26N2O — CID 105080054

IUPACN-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccnc1OC)C1CCCCC1
InChIInChI=1S/C16H26N2O/c1-3-11-17-15(13-8-5-4-6-9-13)14-10-7-12-18-16(14)19-2/h7,10,12-13,15,17H,3-6,8-9,11H2,1-2H3
InChIKeyFPMBBYUYDDFBBT-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.71
Rot. Bonds6

About N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine

N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105080054) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID105080054
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccnc1OC)C1CCCCC1
InChIInChI=1S/C16H26N2O/c1-3-11-17-15(13-8-5-4-6-9-13)14-10-7-12-18-16(14)19-2/h7,10,12-13,15,17H,3-6,8-9,11H2,1-2H3
InChIKeyFPMBBYUYDDFBBT-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105176373
N-[cyclohexyl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104515379
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
[(3-ethylcyclohexyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 105313706
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062
N-[cyclohexyl(quinolin-6-yl)methyl]propan-1-amine
CID 63095807
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981055
N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981230
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105140730

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine (CID 105080054) is N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cccnc1OC)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is FPMBBYUYDDFBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-11-17-15(13-8-5-4-6-9-13)14-10-7-12-18-16(14)19-2/h7,10,12-13,15,17H,3-6,8-9,11H2,1-2H3.
What are the key properties of N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105080054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).