1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine

C11H18N2 — CID 82409851

IUPAC1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine
SMILESCC(C)Cc1ccncc1C(C)N
InChIInChI=1S/C11H18N2/c1-8(2)6-10-4-5-13-7-11(10)9(3)12/h4-5,7-9H,6,12H2,1-3H3
InChIKeyHDKJDECSAUUPHA-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.30
Rot. Bonds3

About 1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine

1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine (PubChem CID 82409851) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine
PubChem CID82409851
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine
SMILESCC(C)Cc1ccncc1C(C)N
InChIInChI=1S/C11H18N2/c1-8(2)6-10-4-5-13-7-11(10)9(3)12/h4-5,7-9H,6,12H2,1-3H3
InChIKeyHDKJDECSAUUPHA-UHFFFAOYSA-N
XLogP2.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
(1S)-1-(4-chloro-3-pyridinyl)ethanamine
CID 96955517
4-(bromomethyl)-3-propan-2-ylpyridine
CID 131699764
4-(2-methylpropyl)-3-nitropyridine
CID 165439022
(1S)-1-(4-ethenyl-3-pyridinyl)ethanamine
CID 74787997
N-[4-(2-methylpropyl)-3-pyridinyl]acetamide
CID 123762017
3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine
CID 130291587
1-(3-methoxy-4-pyridinyl)propan-2-amine
CID 112712024
(1S)-1-(3-ethynyl-4-pyridinyl)ethanamine
CID 74788000
(2R)-2-amino-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 164658532
(1S)-1-(4-ethyl-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 130765840
methyl 3-[(1S)-1-aminoethyl]pyridine-4-carboxylate
CID 130847866

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine?
The IUPAC name of 1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine (CID 82409851) is 1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine?
The canonical SMILES for 1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine is CC(C)Cc1ccncc1C(C)N.
What is the InChIKey of 1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine?
The InChIKey is HDKJDECSAUUPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)6-10-4-5-13-7-11(10)9(3)12/h4-5,7-9H,6,12H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine?
1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine has a molecular weight of 178.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 82409851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).