N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine

C16H29N3O — CID 105073191

IUPACN-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
SMILESCCN(c1cnccc1CNCC(C)C)C(C)COC
InChIInChI=1S/C16H29N3O/c1-6-19(14(4)12-20-5)16-11-17-8-7-15(16)10-18-9-13(2)3/h7-8,11,13-14,18H,6,9-10,12H2,1-5H3
InChIKeyHIWYUGHBZPVDRY-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.69
Rot. Bonds9

About N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine

N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine (PubChem CID 105073191) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
PubChem CID105073191
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
SMILESCCN(c1cnccc1CNCC(C)C)C(C)COC
InChIInChI=1S/C16H29N3O/c1-6-19(14(4)12-20-5)16-11-17-8-7-15(16)10-18-9-13(2)3/h7-8,11,13-14,18H,6,9-10,12H2,1-5H3
InChIKeyHIWYUGHBZPVDRY-UHFFFAOYSA-N
XLogP2.69
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073725
N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073396
N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072908
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine
CID 105074326
4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine
CID 105067390
N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073335
N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine
CID 105073489
N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine
CID 81249699
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62283539
N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine
CID 105073871
N-methyl-N-(2-methylcyclohexyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073520
2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114699579

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
The IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine (CID 105073191) is N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine.
What is the SMILES notation for N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
The canonical SMILES for N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine is CCN(c1cnccc1CNCC(C)C)C(C)COC.
What is the InChIKey of N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
The InChIKey is HIWYUGHBZPVDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-19(14(4)12-20-5)16-11-17-8-7-15(16)10-18-9-13(2)3/h7-8,11,13-14,18H,6,9-10,12H2,1-5H3.
What are the key properties of N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine has a molecular weight of 279.43 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 105073191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).