N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine

C17H29N3 — CID 106905570

IUPACN-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
SMILESCCCNCc1cccc(CN(C)C2CCCCC2)n1
InChIInChI=1S/C17H29N3/c1-3-12-18-13-15-8-7-9-16(19-15)14-20(2)17-10-5-4-6-11-17/h7-9,17-18H,3-6,10-14H2,1-2H3
InChIKeyMDXZYTRZZPBFBV-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.35
Rot. Bonds7

About N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine

N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine (PubChem CID 106905570) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
PubChem CID106905570
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
SMILESCCCNCc1cccc(CN(C)C2CCCCC2)n1
InChIInChI=1S/C17H29N3/c1-3-12-18-13-15-8-7-9-16(19-15)14-20(2)17-10-5-4-6-11-17/h7-9,17-18H,3-6,10-14H2,1-2H3
InChIKeyMDXZYTRZZPBFBV-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.35
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-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine
CID 106905571
N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 106906147
N-cyclopentyl-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62278994
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62422996
1-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpiperidin-4-amine
CID 106906287
N-[(6-hydrazinyl-2-pyridinyl)methyl]-N-methylcycloheptanamine
CID 79243284
N-[[6-[[methyl(propan-2-yl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905577
N-[(6-hydrazinyl-2-pyridinyl)methyl]-N-methylcyclohexanamine
CID 79243666
N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906637
N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 115938175
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62418324

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine?
The IUPAC name of N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine (CID 106905570) is N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine is CCCNCc1cccc(CN(C)C2CCCCC2)n1.
What is the InChIKey of N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine?
The InChIKey is MDXZYTRZZPBFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-12-18-13-15-8-7-9-16(19-15)14-20(2)17-10-5-4-6-11-17/h7-9,17-18H,3-6,10-14H2,1-2H3.
What are the key properties of N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine?
N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine has a molecular weight of 275.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine is sourced from PubChem (CID 106905570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).