[6-(3-methylbutyl)-2-pyridinyl]methanamine

C11H18N2 — CID 54541845

IUPAC[6-(3-methylbutyl)-2-pyridinyl]methanamine
SMILESCC(C)CCc1cccc(CN)n1
InChIInChI=1S/C11H18N2/c1-9(2)6-7-10-4-3-5-11(8-12)13-10/h3-5,9H,6-8,12H2,1-2H3
InChIKeyZDTNIYCGAYRPKW-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.13
Rot. Bonds4

About [6-(3-methylbutyl)-2-pyridinyl]methanamine

[6-(3-methylbutyl)-2-pyridinyl]methanamine (PubChem CID 54541845) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is [6-(3-methylbutyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(3-methylbutyl)-2-pyridinyl]methanamine
PubChem CID54541845
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name[6-(3-methylbutyl)-2-pyridinyl]methanamine
SMILESCC(C)CCc1cccc(CN)n1
InChIInChI=1S/C11H18N2/c1-9(2)6-7-10-4-3-5-11(8-12)13-10/h3-5,9H,6-8,12H2,1-2H3
InChIKeyZDTNIYCGAYRPKW-UHFFFAOYSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-butyl-2-pyridinyl)methanamine
CID 67813294
[6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine
CID 106908718
(6-propan-2-yl-2-pyridinyl)methanamine
CID 59570017
[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106907946
1-[6-(aminomethyl)-2-pyridinyl]propan-2-one
CID 118396926
[6-(1-chloroethyl)-2-pyridinyl]methanamine
CID 142404245
2-(6-propan-2-yl-2-pyridinyl)ethanamine
CID 20823809
2-methyl-4-(3-methylbutyl)pyrimidine
CID 143330492
[6-(4-propan-2-ylphenoxy)-2-pyridinyl]methanamine
CID 62295869
[6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine
CID 106908570
[6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine
CID 66275408
N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide
CID 82343819

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylbutyl)-2-pyridinyl]methanamine?
The IUPAC name of [6-(3-methylbutyl)-2-pyridinyl]methanamine (CID 54541845) is [6-(3-methylbutyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(3-methylbutyl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(3-methylbutyl)-2-pyridinyl]methanamine is CC(C)CCc1cccc(CN)n1.
What is the InChIKey of [6-(3-methylbutyl)-2-pyridinyl]methanamine?
The InChIKey is ZDTNIYCGAYRPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)6-7-10-4-3-5-11(8-12)13-10/h3-5,9H,6-8,12H2,1-2H3.
What are the key properties of [6-(3-methylbutyl)-2-pyridinyl]methanamine?
[6-(3-methylbutyl)-2-pyridinyl]methanamine has a molecular weight of 178.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylbutyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 54541845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).