N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine

C18H33N3 — CID 63487572

IUPACN,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(C)c1nc(C)cc(C)c1CNCC(C)C
InChIInChI=1S/C18H33N3/c1-8-16(9-2)21(7)18-17(12-19-11-13(3)4)14(5)10-15(6)20-18/h10,13,16,19H,8-9,11-12H2,1-7H3
InChIKeyLFIHGIUDAYIWCL-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.07
Rot. Bonds8

About N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine

N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine (PubChem CID 63487572) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound NameN,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine
PubChem CID63487572
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(C)c1nc(C)cc(C)c1CNCC(C)C
InChIInChI=1S/C18H33N3/c1-8-16(9-2)21(7)18-17(12-19-11-13(3)4)14(5)10-15(6)20-18/h10,13,16,19H,8-9,11-12H2,1-7H3
InChIKeyLFIHGIUDAYIWCL-UHFFFAOYSA-N
XLogP4.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine (CID 63487572) is N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine is CCC(CC)N(C)c1nc(C)cc(C)c1CNCC(C)C.
What is the InChIKey of N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine?
The InChIKey is LFIHGIUDAYIWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-8-16(9-2)21(7)18-17(12-19-11-13(3)4)14(5)10-15(6)20-18/h10,13,16,19H,8-9,11-12H2,1-7H3.
What are the key properties of N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine?
N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 63487572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).