(2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine

C10H20N2 — CID 131140813

IUPAC(2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
SMILESCC1=C(C)CN(C[C@H](C)N)CC1
InChIInChI=1S/C10H20N2/c1-8-4-5-12(6-9(8)2)7-10(3)11/h10H,4-7,11H2,1-3H3/t10-/m0/s1
InChIKeyBIMJGFQWYTUJAU-JTQLQIEISA-N
MW168.28 g/mol
LogP1.38
Rot. Bonds2

About (2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine

(2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine (PubChem CID 131140813) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
PubChem CID131140813
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
SMILESCC1=C(C)CN(C[C@H](C)N)CC1
InChIInChI=1S/C10H20N2/c1-8-4-5-12(6-9(8)2)7-10(3)11/h10H,4-7,11H2,1-3H3/t10-/m0/s1
InChIKeyBIMJGFQWYTUJAU-JTQLQIEISA-N
XLogP1.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
2-(4-Methyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-amine
CID 12700151
2-(4-Methyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-amine dihydrochloride
CID 91642775
4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 114462373
2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114489678
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 114490157
(2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine
CID 59885959
(7aR)-4,6-dimethyl-1,2,3,5,7,7a-hexahydropyrrolo[3,4-b]pyridine
CID 59956568
(7aS)-4,6-dimethyl-1,2,3,5,7,7a-hexahydropyrrolo[3,4-b]pyridine
CID 59956570
5,6-dimethyl-2,3,4,7-tetrahydro-1H-azepin-3-amine
CID 70248984
2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 90396310
N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 90396342

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine (CID 131140813) is (2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine is CC1=C(C)CN(C[C@H](C)N)CC1.
What is the InChIKey of (2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine?
The InChIKey is BIMJGFQWYTUJAU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20N2/c1-8-4-5-12(6-9(8)2)7-10(3)11/h10H,4-7,11H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine?
(2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine has a molecular weight of 168.28 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine is sourced from PubChem (CID 131140813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).