N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine

C15H25N3O — CID 82754948

IUPACN,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCc1cc(N(C)C2CCOC2)c(CNC(C)C)cn1
InChIInChI=1S/C15H25N3O/c1-11(2)16-8-13-9-17-12(3)7-15(13)18(4)14-5-6-19-10-14/h7,9,11,14,16H,5-6,8,10H2,1-4H3
InChIKeyADAURVUXZJRLNL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.11
Rot. Bonds5

About N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine

N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 82754948) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID82754948
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCc1cc(N(C)C2CCOC2)c(CNC(C)C)cn1
InChIInChI=1S/C15H25N3O/c1-11(2)16-8-13-9-17-12(3)7-15(13)18(4)14-5-6-19-10-14/h7,9,11,14,16H,5-6,8,10H2,1-4H3
InChIKeyADAURVUXZJRLNL-UHFFFAOYSA-N
XLogP2.11
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83189633
N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81250071
N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185887
N-[[6-methyl-4-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250738
N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 82754235
N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine
CID 81246363
N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81246152
[4-[cycloheptyl(methyl)amino]-6-methyl-3-pyridinyl]methanol
CID 81237318
N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine
CID 81247572
N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247722
N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine
CID 81253096
N-methyl-N-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]oxan-4-amine
CID 62121051

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 82754948) is N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine is Cc1cc(N(C)C2CCOC2)c(CNC(C)C)cn1.
What is the InChIKey of N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is ADAURVUXZJRLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)16-8-13-9-17-12(3)7-15(13)18(4)14-5-6-19-10-14/h7,9,11,14,16H,5-6,8,10H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 82754948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).