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

C14H24N2 — CID 115698944

IUPAC2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine
SMILESCCC(NCc1ccc(C)cn1)C(C)(C)C
InChIInChI=1S/C14H24N2/c1-6-13(14(3,4)5)16-10-12-8-7-11(2)9-15-12/h7-9,13,16H,6,10H2,1-5H3
InChIKeyZRKSZYYTWUNFFJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.30
Rot. Bonds4

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

2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine (PubChem CID 115698944) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine
PubChem CID115698944
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine
SMILESCCC(NCc1ccc(C)cn1)C(C)(C)C
InChIInChI=1S/C14H24N2/c1-6-13(14(3,4)5)16-10-12-8-7-11(2)9-15-12/h7-9,13,16H,6,10H2,1-5H3
InChIKeyZRKSZYYTWUNFFJ-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine?
The IUPAC name of 2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine (CID 115698944) is 2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine?
The canonical SMILES for 2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine is CCC(NCc1ccc(C)cn1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine?
The InChIKey is ZRKSZYYTWUNFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-13(14(3,4)5)16-10-12-8-7-11(2)9-15-12/h7-9,13,16H,6,10H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine?
2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine has a molecular weight of 220.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine is sourced from PubChem (CID 115698944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).