4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine

C14H24N2 — CID 115698997

IUPAC4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine
SMILESCc1ccc(CNCCCC(C)(C)C)nc1
InChIInChI=1S/C14H24N2/c1-12-6-7-13(16-10-12)11-15-9-5-8-14(2,3)4/h6-7,10,15H,5,8-9,11H2,1-4H3
InChIKeyXYEZDTFQZBNVKH-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.31
Rot. Bonds5

About 4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine

4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine (PubChem CID 115698997) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine
PubChem CID115698997
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine
SMILESCc1ccc(CNCCCC(C)(C)C)nc1
InChIInChI=1S/C14H24N2/c1-12-6-7-13(16-10-12)11-15-9-5-8-14(2,3)4/h6-7,10,15H,5,8-9,11H2,1-4H3
InChIKeyXYEZDTFQZBNVKH-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethionamide
CID 2761171
Anabasine
CID 205586
Nornicotine
CID 91462
Prothionamide
CID 666418
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
5-Ethyl-2-methylpyridine
CID 7728
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Anabaseine
CID 18985

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine?
The IUPAC name of 4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine (CID 115698997) is 4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine is Cc1ccc(CNCCCC(C)(C)C)nc1.
What is the InChIKey of 4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine?
The InChIKey is XYEZDTFQZBNVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12-6-7-13(16-10-12)11-15-9-5-8-14(2,3)4/h6-7,10,15H,5,8-9,11H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine?
4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine is sourced from PubChem (CID 115698997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).