N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine

C18H31N3 — CID 106906147

IUPACN,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
SMILESCCCNCc1cccc(CN(C)C2CCCC(C)C2)n1
InChIInChI=1S/C18H31N3/c1-4-11-19-13-16-8-6-9-17(20-16)14-21(3)18-10-5-7-15(2)12-18/h6,8-9,15,18-19H,4-5,7,10-14H2,1-3H3
InChIKeyJJEKNNVWGYUFHN-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.59
Rot. Bonds7

About N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine

N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine (PubChem CID 106906147) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
PubChem CID106906147
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
SMILESCCCNCc1cccc(CN(C)C2CCCC(C)C2)n1
InChIInChI=1S/C18H31N3/c1-4-11-19-13-16-8-6-9-17(20-16)14-21(3)18-10-5-7-15(2)12-18/h6,8-9,15,18-19H,4-5,7,10-14H2,1-3H3
InChIKeyJJEKNNVWGYUFHN-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.59
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-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
CID 106905570
N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine
CID 62429692
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine
CID 106905571
N-cyclopentyl-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62278994
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-[[methyl(propan-2-yl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905577
N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 63551560
N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906637
1-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpiperidin-4-amine
CID 106906287
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106206173
N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906390
N-[[6-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906373

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The IUPAC name of N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine (CID 106906147) is N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The canonical SMILES for N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine is CCCNCc1cccc(CN(C)C2CCCC(C)C2)n1.
What is the InChIKey of N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The InChIKey is JJEKNNVWGYUFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-11-19-13-16-8-6-9-17(20-16)14-21(3)18-10-5-7-15(2)12-18/h6,8-9,15,18-19H,4-5,7,10-14H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 106906147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).