1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine

C13H22N2 — CID 63202116

IUPAC1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1ncccc1C
InChIInChI=1S/C13H22N2/c1-4-8-14-12(5-2)10-13-11(3)7-6-9-15-13/h6-7,9,12,14H,4-5,8,10H2,1-3H3
InChIKeyUNSLRZPZOCOCLD-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.71
Rot. Bonds6

About 1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine

1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine (PubChem CID 63202116) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
PubChem CID63202116
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1ncccc1C
InChIInChI=1S/C13H22N2/c1-4-8-14-12(5-2)10-13-11(3)7-6-9-15-13/h6-7,9,12,14H,4-5,8,10H2,1-3H3
InChIKeyUNSLRZPZOCOCLD-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-2-pyridinyl)-N-propylpentan-2-amine
CID 63198506
1-cyclopropyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 66446508
1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103164338
4-cyclohexyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
CID 66446892
N-[1-(furan-2-yl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66446112
1-(1-methoxycyclobutyl)-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557053
1-(3-fluoro-2-pyridinyl)-N-propylpentan-2-amine
CID 63198137
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine
CID 79007946
N,3-diethyl-1-(3-methyl-2-pyridinyl)pentan-2-amine
CID 66446885
N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66448648
N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447483
N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 66447481

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine (CID 63202116) is 1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine is CCCNC(CC)Cc1ncccc1C.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine?
The InChIKey is UNSLRZPZOCOCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-8-14-12(5-2)10-13-11(3)7-6-9-15-13/h6-7,9,12,14H,4-5,8,10H2,1-3H3.
What are the key properties of 1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine?
1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine is sourced from PubChem (CID 63202116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).