N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine

C13H22N2 — CID 104581333

IUPACN-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine
SMILESCCCC(NCC(C)C)c1cccnc1
InChIInChI=1S/C13H22N2/c1-4-6-13(15-9-11(2)3)12-7-5-8-14-10-12/h5,7-8,10-11,13,15H,4,6,9H2,1-3H3
InChIKeyPCNQESORYIVONZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.17
Rot. Bonds6

About N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine

N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine (PubChem CID 104581333) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine
PubChem CID104581333
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine
SMILESCCCC(NCC(C)C)c1cccnc1
InChIInChI=1S/C13H22N2/c1-4-6-13(15-9-11(2)3)12-7-5-8-14-10-12/h5,7-8,10-11,13,15H,4,6,9H2,1-3H3
InChIKeyPCNQESORYIVONZ-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

N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65383709
3-(1-pyridin-3-ylbutylamino)butan-1-ol
CID 104582590
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
N,3-dimethyl-2-pyridin-3-ylhexan-1-amine
CID 107887227
2-methyl-N-propyl-1-pyridin-3-ylpentan-1-amine
CID 115799813
N-ethyl-3-methoxy-1-pyridin-3-ylpropan-1-amine
CID 61412717
2-methyl-1-pyridin-3-ylpentan-1-amine
CID 115799302
N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine
CID 105098484
1-pyridin-3-yldecylhydrazine
CID 105196150
N-(cyclohexylmethyl)-1-pyridin-3-ylpentan-1-amine
CID 56676007
3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine
CID 103150047
N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine
CID 65141692

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine?
The IUPAC name of N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine (CID 104581333) is N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine is CCCC(NCC(C)C)c1cccnc1.
What is the InChIKey of N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine?
The InChIKey is PCNQESORYIVONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-6-13(15-9-11(2)3)12-7-5-8-14-10-12/h5,7-8,10-11,13,15H,4,6,9H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine?
N-(2-methylpropyl)-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 N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine is sourced from PubChem (CID 104581333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).