2-methylpropyl(pyridin-3-ylmethyl)azanium

C10H17N2+ — CID 7808850

IUPAC2-methylpropyl(pyridin-3-ylmethyl)azanium
SMILESCC(C)C[NH2+]Cc1cccnc1
InChIInChI=1S/C10H16N2/c1-9(2)6-12-8-10-4-3-5-11-7-10/h3-5,7,9,12H,6,8H2,1-2H3/p+1
InChIKeyVRLHLCWWRNNISC-UHFFFAOYSA-O
MW165.26 g/mol
LogP0.80
Rot. Bonds4

About 2-methylpropyl(pyridin-3-ylmethyl)azanium

2-methylpropyl(pyridin-3-ylmethyl)azanium (PubChem CID 7808850) has the molecular formula C10H17N2+ and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-methylpropyl(pyridin-3-ylmethyl)azanium.

Molecular Properties

Compound Name2-methylpropyl(pyridin-3-ylmethyl)azanium
PubChem CID7808850
Molecular FormulaC10H17N2+
Molecular Weight165.26 g/mol
Exact Mass165.14
IUPAC Name2-methylpropyl(pyridin-3-ylmethyl)azanium
SMILESCC(C)C[NH2+]Cc1cccnc1
InChIInChI=1S/C10H16N2/c1-9(2)6-12-8-10-4-3-5-11-7-10/h3-5,7,9,12H,6,8H2,1-2H3/p+1
InChIKeyVRLHLCWWRNNISC-UHFFFAOYSA-O
XLogP0.80
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(pyridin-3-ylmethyl)azanium
CID 6946562
pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium
CID 6946563
3-(5-methylhexyl)pyridine
CID 54316004
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
3-ethylpyridine
CID 10823
[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-(pyridin-3-ylmethyl)azanium
CID 7998251
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
(4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090046
3-(14-methylpentadecyl)pyridine
CID 19697272
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
platinum(2+);propan-2-amine;pyridin-3-ylmethanol;dichloride
CID 11964438
6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl(pyridin-3-ylmethyl)azanium?
The IUPAC name of 2-methylpropyl(pyridin-3-ylmethyl)azanium (CID 7808850) is 2-methylpropyl(pyridin-3-ylmethyl)azanium.
What is the SMILES notation for 2-methylpropyl(pyridin-3-ylmethyl)azanium?
The canonical SMILES for 2-methylpropyl(pyridin-3-ylmethyl)azanium is CC(C)C[NH2+]Cc1cccnc1.
What is the InChIKey of 2-methylpropyl(pyridin-3-ylmethyl)azanium?
The InChIKey is VRLHLCWWRNNISC-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H16N2/c1-9(2)6-12-8-10-4-3-5-11-7-10/h3-5,7,9,12H,6,8H2,1-2H3/p+1.
What are the key properties of 2-methylpropyl(pyridin-3-ylmethyl)azanium?
2-methylpropyl(pyridin-3-ylmethyl)azanium has a molecular weight of 165.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl(pyridin-3-ylmethyl)azanium is sourced from PubChem (CID 7808850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).