N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine

C15H27N3O — CID 81246806

IUPACN-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCOCC(C)N(C)c1cc(C)ncc1CNC(C)C
InChIInChI=1S/C15H27N3O/c1-11(2)16-8-14-9-17-12(3)7-15(14)18(5)13(4)10-19-6/h7,9,11,13,16H,8,10H2,1-6H3
InChIKeyQBMSEGWKFSDQLK-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.36
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine

N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 81246806) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID81246806
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCOCC(C)N(C)c1cc(C)ncc1CNC(C)C
InChIInChI=1S/C15H27N3O/c1-11(2)16-8-14-9-17-12(3)7-15(14)18(5)13(4)10-19-6/h7,9,11,13,16H,8,10H2,1-6H3
InChIKeyQBMSEGWKFSDQLK-UHFFFAOYSA-N
XLogP2.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine with MolForge

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,2-dimethylpyridin-4-amine
CID 81246951
N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247722
N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81246152
N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81249618
2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine
CID 81249870
N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine
CID 81247572
N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247464
N,2-dimethyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 81249931
N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247335
N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81250071
N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 82754948
2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 81149579

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 81246806) is N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine is COCC(C)N(C)c1cc(C)ncc1CNC(C)C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is QBMSEGWKFSDQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)16-8-14-9-17-12(3)7-15(14)18(5)13(4)10-19-6/h7,9,11,13,16H,8,10H2,1-6H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81246806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).