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

C13H22N2 — CID 63716862

IUPAC2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine
SMILESCCCNC(c1cccnc1)C(C)CC
InChIInChI=1S/C13H22N2/c1-4-8-15-13(11(3)5-2)12-7-6-9-14-10-12/h6-7,9-11,13,15H,4-5,8H2,1-3H3
InChIKeyCCJADPKNASNPHL-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.17
Rot. Bonds6

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

2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine (PubChem CID 63716862) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine
PubChem CID63716862
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine
SMILESCCCNC(c1cccnc1)C(C)CC
InChIInChI=1S/C13H22N2/c1-4-8-15-13(11(3)5-2)12-7-6-9-14-10-12/h6-7,9-11,13,15H,4-5,8H2,1-3H3
InChIKeyCCJADPKNASNPHL-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-propyl-1-pyridin-3-ylpentan-1-amine
CID 115799813
N-(2-ethoxy-2-phenyl-1-pyridin-3-ylethyl)propan-1-amine
CID 116773849
1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine
CID 63717242
N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine
CID 65141692
1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
CID 55229984
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine
CID 79168443
1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
CID 43497568
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43494512
N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43495177

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine?
The IUPAC name of 2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine (CID 63716862) is 2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine is CCCNC(c1cccnc1)C(C)CC.
What is the InChIKey of 2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine?
The InChIKey is CCJADPKNASNPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-8-15-13(11(3)5-2)12-7-6-9-14-10-12/h6-7,9-11,13,15H,4-5,8H2,1-3H3.
What are the key properties of 2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine?
2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine is sourced from PubChem (CID 63716862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).