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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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).