N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine

C19H27N3O — CID 68723711

IUPACN,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine
SMILESCCC(CC)Oc1cccc(NCc2ccc(N(C)C)nc2)c1
InChIInChI=1S/C19H27N3O/c1-5-17(6-2)23-18-9-7-8-16(12-18)20-13-15-10-11-19(21-14-15)22(3)4/h7-12,14,17,20H,5-6,13H2,1-4H3
InChIKeyXAUAGIXLVSZWLN-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.33
Rot. Bonds8

About N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine

N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine (PubChem CID 68723711) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine
PubChem CID68723711
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine
SMILESCCC(CC)Oc1cccc(NCc2ccc(N(C)C)nc2)c1
InChIInChI=1S/C19H27N3O/c1-5-17(6-2)23-18-9-7-8-16(12-18)20-13-15-10-11-19(21-14-15)22(3)4/h7-12,14,17,20H,5-6,13H2,1-4H3
InChIKeyXAUAGIXLVSZWLN-UHFFFAOYSA-N
XLogP4.33
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine (CID 68723711) is N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine is CCC(CC)Oc1cccc(NCc2ccc(N(C)C)nc2)c1.
What is the InChIKey of N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine?
The InChIKey is XAUAGIXLVSZWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-5-17(6-2)23-18-9-7-8-16(12-18)20-13-15-10-11-19(21-14-15)22(3)4/h7-12,14,17,20H,5-6,13H2,1-4H3.
What are the key properties of N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine?
N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine has a molecular weight of 313.45 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine is sourced from PubChem (CID 68723711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).