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

C14H23N3O — CID 82754235

IUPACN-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cc(N(C)C2CCOC2)ccn1
InChIInChI=1S/C14H23N3O/c1-11(2)16-9-12-8-13(4-6-15-12)17(3)14-5-7-18-10-14/h4,6,8,11,14,16H,5,7,9-10H2,1-3H3
InChIKeyZEEXNUNXMXBXSD-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds5

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

N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 82754235) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID82754235
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cc(N(C)C2CCOC2)ccn1
InChIInChI=1S/C14H23N3O/c1-11(2)16-9-12-8-13(4-6-15-12)17(3)14-5-7-18-10-14/h4,6,8,11,14,16H,5,7,9-10H2,1-3H3
InChIKeyZEEXNUNXMXBXSD-UHFFFAOYSA-N
XLogP1.80
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 82754235) is N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine is CC(C)NCc1cc(N(C)C2CCOC2)ccn1.
What is the InChIKey of N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is ZEEXNUNXMXBXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)16-9-12-8-13(4-6-15-12)17(3)14-5-7-18-10-14/h4,6,8,11,14,16H,5,7,9-10H2,1-3H3.
What are the key properties of N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 82754235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).