(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine

C11H18N2 — CID 130039959

IUPAC(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine
SMILESCc1cnccc1[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H18N2/c1-8-7-13-6-5-9(8)10(12)11(2,3)4/h5-7,10H,12H2,1-4H3/t10-/m1/s1
InChIKeyPDLYUIKPAXUSAO-SNVBAGLBSA-N
MW178.28 g/mol
LogP2.44
Rot. Bonds1

About (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine

(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine (PubChem CID 130039959) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine
PubChem CID130039959
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine
SMILESCc1cnccc1[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H18N2/c1-8-7-13-6-5-9(8)10(12)11(2,3)4/h5-7,10H,12H2,1-4H3/t10-/m1/s1
InChIKeyPDLYUIKPAXUSAO-SNVBAGLBSA-N
XLogP2.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine (CID 130039959) is (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine is Cc1cnccc1[C@@H](N)C(C)(C)C.
What is the InChIKey of (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine?
The InChIKey is PDLYUIKPAXUSAO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-7-13-6-5-9(8)10(12)11(2,3)4/h5-7,10H,12H2,1-4H3/t10-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine?
(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine is sourced from PubChem (CID 130039959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).