(1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane

C14H26N2 — CID 143571463

IUPAC(1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane
SMILESCC.CCC[C@@H](c1ccc(C)nc1)N(C)C
InChIInChI=1S/C12H20N2.C2H6/c1-5-6-12(14(3)4)11-8-7-10(2)13-9-11;1-2/h7-9,12H,5-6H2,1-4H3;1-2H3/t12-;/m0./s1
InChIKeyMJGZSUGPVXRBQR-YDALLXLXSA-N
MW222.38 g/mol
LogP3.82
Rot. Bonds4

About (1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane

(1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane (PubChem CID 143571463) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane
PubChem CID143571463
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane
SMILESCC.CCC[C@@H](c1ccc(C)nc1)N(C)C
InChIInChI=1S/C12H20N2.C2H6/c1-5-6-12(14(3)4)11-8-7-10(2)13-9-11;1-2/h7-9,12H,5-6H2,1-4H3;1-2H3/t12-;/m0./s1
InChIKeyMJGZSUGPVXRBQR-YDALLXLXSA-N
XLogP3.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane?
The IUPAC name of (1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane (CID 143571463) is (1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane.
What is the SMILES notation for (1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane?
The canonical SMILES for (1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane is CC.CCC[C@@H](c1ccc(C)nc1)N(C)C.
What is the InChIKey of (1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane?
The InChIKey is MJGZSUGPVXRBQR-YDALLXLXSA-N. The full InChI is InChI=1S/C12H20N2.C2H6/c1-5-6-12(14(3)4)11-8-7-10(2)13-9-11;1-2/h7-9,12H,5-6H2,1-4H3;1-2H3/t12-;/m0./s1.
What are the key properties of (1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane?
(1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane has a molecular weight of 222.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane is sourced from PubChem (CID 143571463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).