4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine

C16H29N3 — CID 105074176

IUPAC4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine
SMILESCCC(CC)N(CC(C)C)c1cnccc1CNC
InChIInChI=1S/C16H29N3/c1-6-15(7-2)19(12-13(3)4)16-11-18-9-8-14(16)10-17-5/h8-9,11,13,15,17H,6-7,10,12H2,1-5H3
InChIKeyLWAMQPMVNSSUOA-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.45
Rot. Bonds8

About 4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine

4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine (PubChem CID 105074176) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine
PubChem CID105074176
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine
SMILESCCC(CC)N(CC(C)C)c1cnccc1CNC
InChIInChI=1S/C16H29N3/c1-6-15(7-2)19(12-13(3)4)16-11-18-9-8-14(16)10-17-5/h8-9,11,13,15,17H,6-7,10,12H2,1-5H3
InChIKeyLWAMQPMVNSSUOA-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81254476
3-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine
CID 81246316
N-methyl-4-(methylaminomethyl)-N-propan-2-ylpyridin-3-amine
CID 105072723
4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79484228
N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 105074392
N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073292
N-butyl-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105072693
N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072908
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)pyridin-3-amine
CID 105073981
N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073725
N-methyl-4-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 105073101
N-ethyl-4-(methylaminomethyl)-N-(2-methylphenyl)pyridin-3-amine
CID 105072688

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine?
The IUPAC name of 4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine (CID 105074176) is 4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine.
What is the SMILES notation for 4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine?
The canonical SMILES for 4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine is CCC(CC)N(CC(C)C)c1cnccc1CNC.
What is the InChIKey of 4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine?
The InChIKey is LWAMQPMVNSSUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-15(7-2)19(12-13(3)4)16-11-18-9-8-14(16)10-17-5/h8-9,11,13,15,17H,6-7,10,12H2,1-5H3.
What are the key properties of 4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine?
4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine has a molecular weight of 263.43 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine is sourced from PubChem (CID 105074176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).