N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine

C18H28N2 — CID 79562678

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC2CCC1C2)c1cccc(C)n1
InChIInChI=1S/C18H28N2/c1-3-9-19-18(17-6-4-5-13(2)20-17)12-16-11-14-7-8-15(16)10-14/h4-6,14-16,18-19H,3,7-12H2,1-2H3
InChIKeyVEMSMKGFULKZCP-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.26
Rot. Bonds6

About N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine

N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 79562678) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
PubChem CID79562678
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC2CCC1C2)c1cccc(C)n1
InChIInChI=1S/C18H28N2/c1-3-9-19-18(17-6-4-5-13(2)20-17)12-16-11-14-7-8-15(16)10-14/h4-6,14-16,18-19H,3,7-12H2,1-2H3
InChIKeyVEMSMKGFULKZCP-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 79562379
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 55197409
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495146
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-2-methylphenyl)ethyl]propan-1-amine
CID 107102792
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 105012704
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43496619
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 79562074
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 105167864
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102764234
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
CID 105012922
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115816163
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethylphenyl)ethyl]hydrazine
CID 114027392

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine (CID 79562678) is N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine is CCCNC(CC1CC2CCC1C2)c1cccc(C)n1.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is VEMSMKGFULKZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-9-19-18(17-6-4-5-13(2)20-17)12-16-11-14-7-8-15(16)10-14/h4-6,14-16,18-19H,3,7-12H2,1-2H3.
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine?
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 79562678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).