3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine

C13H22N2 — CID 60820074

IUPAC3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
SMILESCCCNC(Cc1ccccn1)C(C)C
InChIInChI=1S/C13H22N2/c1-4-8-15-13(11(2)3)10-12-7-5-6-9-14-12/h5-7,9,11,13,15H,4,8,10H2,1-3H3
InChIKeyUNCWBOVAFAHUMS-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.65
Rot. Bonds6

About 3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine

3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine (PubChem CID 60820074) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
PubChem CID60820074
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
SMILESCCCNC(Cc1ccccn1)C(C)C
InChIInChI=1S/C13H22N2/c1-4-8-15-13(11(2)3)10-12-7-5-6-9-14-12/h5-7,9,11,13,15H,4,8,10H2,1-3H3
InChIKeyUNCWBOVAFAHUMS-UHFFFAOYSA-N
XLogP2.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

3-phenyl-N-propyl-1-pyridin-2-ylpentan-2-amine
CID 104995300
4-methyl-N-propyl-1-pyridin-2-ylhexan-2-amine
CID 62600384
4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 105157999
(3,4-dimethyl-1-pyridin-2-ylpentan-2-yl)hydrazine
CID 105315374
1-(2-methylphenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 60818337
N-ethyl-4-methyl-1-pyridin-2-ylpentan-3-amine
CID 105078244
4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol
CID 106349529
N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 62550641
N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine
CID 79492661
3-methoxy-3-methyl-N-propyl-1-pyridin-2-ylpentan-2-amine
CID 116758123
5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine
CID 66447424
N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine
CID 104520130

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine?
The IUPAC name of 3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine (CID 60820074) is 3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine is CCCNC(Cc1ccccn1)C(C)C.
What is the InChIKey of 3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine?
The InChIKey is UNCWBOVAFAHUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-8-15-13(11(2)3)10-12-7-5-6-9-14-12/h5-7,9,11,13,15H,4,8,10H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine?
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 60820074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).