2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine

C13H22N2 — CID 60902535

IUPAC2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine
SMILESCCCC(C)CNCCc1ccncc1
InChIInChI=1S/C13H22N2/c1-3-4-12(2)11-15-10-7-13-5-8-14-9-6-13/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3
InChIKeyGRXQLAFYCWZFJR-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.65
Rot. Bonds7

About 2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine

2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine (PubChem CID 60902535) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine
PubChem CID60902535
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine
SMILESCCCC(C)CNCCc1ccncc1
InChIInChI=1S/C13H22N2/c1-3-4-12(2)11-15-10-7-13-5-8-14-9-6-13/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3
InChIKeyGRXQLAFYCWZFJR-UHFFFAOYSA-N
XLogP2.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.65
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

2-[(2-pyridin-4-ylethylamino)methyl]butanenitrile
CID 115254073
2-methyl-3-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 115255406
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
N-pentan-2-yl-2-(2-pyridin-4-ylethylamino)propanamide
CID 60903136
3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 107876015
N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62432012
N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine
CID 61485275
2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 142036004
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpentan-1-amine
CID 43093927
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
N'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide
CID 77030286

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine?
The IUPAC name of 2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine (CID 60902535) is 2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine?
The canonical SMILES for 2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine is CCCC(C)CNCCc1ccncc1.
What is the InChIKey of 2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine?
The InChIKey is GRXQLAFYCWZFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-4-12(2)11-15-10-7-13-5-8-14-9-6-13/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3.
What are the key properties of 2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine?
2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine is sourced from PubChem (CID 60902535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).