2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine

C14H24N2 — CID 115880423

IUPAC2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
SMILESCCC(NC(C)c1ccncc1)C(C)(C)C
InChIInChI=1S/C14H24N2/c1-6-13(14(3,4)5)16-11(2)12-7-9-15-10-8-12/h7-11,13,16H,6H2,1-5H3
InChIKeyMBYPYRPMUSMBKY-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.56
Rot. Bonds4

About 2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine

2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine (PubChem CID 115880423) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
PubChem CID115880423
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
SMILESCCC(NC(C)c1ccncc1)C(C)(C)C
InChIInChI=1S/C14H24N2/c1-6-13(14(3,4)5)16-11(2)12-7-9-15-10-8-12/h7-11,13,16H,6H2,1-5H3
InChIKeyMBYPYRPMUSMBKY-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 43766850
3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
CID 43202307
N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
CID 28644656
2-methyl-N-(1-pyridin-4-ylpropyl)pentan-3-amine
CID 115723432
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405768
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405940
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine
CID 81406053

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine?
The IUPAC name of 2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine (CID 115880423) is 2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine?
The canonical SMILES for 2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine is CCC(NC(C)c1ccncc1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine?
The InChIKey is MBYPYRPMUSMBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-13(14(3,4)5)16-11(2)12-7-9-15-10-8-12/h7-11,13,16H,6H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine?
2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine has a molecular weight of 220.36 g/mol, XLogP of 3.56, 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-(1-pyridin-4-ylethyl)pentan-3-amine is sourced from PubChem (CID 115880423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).