(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine

C10H16N2 — CID 94424618

IUPAC(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
SMILESCC(C)(C)[C@H](N)c1ccncc1
InChIInChI=1S/C10H16N2/c1-10(2,3)9(11)8-4-6-12-7-5-8/h4-7,9H,11H2,1-3H3/t9-/m1/s1
InChIKeySMLWNQXWIRGFQW-SECBINFHSA-N
MW164.25 g/mol
LogP2.13
Rot. Bonds1

About (1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine

(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine (PubChem CID 94424618) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
PubChem CID94424618
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
SMILESCC(C)(C)[C@H](N)c1ccncc1
InChIInChI=1S/C10H16N2/c1-10(2,3)9(11)8-4-6-12-7-5-8/h4-7,9H,11H2,1-3H3/t9-/m1/s1
InChIKeySMLWNQXWIRGFQW-SECBINFHSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine;hydrochloride
CID 171246376
4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid
CID 116938337
4-(1-amino-2,2-dimethylpropyl)aniline
CID 70658463
(1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130741004
(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine
CID 130039959
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine
CID 142237918
(1R)-1-(2-methoxy-4-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130901703
2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 76893776
4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline
CID 130625593
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 61163259
4-pyridin-4-ylpentan-2-amine
CID 112714269

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of (1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine (CID 94424618) is (1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for (1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for (1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine is CC(C)(C)[C@H](N)c1ccncc1.
What is the InChIKey of (1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine?
The InChIKey is SMLWNQXWIRGFQW-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2/c1-10(2,3)9(11)8-4-6-12-7-5-8/h4-7,9H,11H2,1-3H3/t9-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine?
(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine has a molecular weight of 164.25 g/mol, XLogP of 2.13, 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-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 94424618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).