2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane

C18H34N2 — CID 156850143

IUPAC2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane
SMILESCC.Cc1cc(CC(CNC(C)C)C(C)C)cc(C)n1
InChIInChI=1S/C16H28N2.C2H6/c1-11(2)16(10-17-12(3)4)9-15-7-13(5)18-14(6)8-15;1-2/h7-8,11-12,16-17H,9-10H2,1-6H3;1-2H3
InChIKeyCIIUPMZUDHVJBI-UHFFFAOYSA-N
MW278.48 g/mol
LogP4.54
Rot. Bonds6

About 2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane

2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane (PubChem CID 156850143) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane.

Molecular Properties

Compound Name2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane
PubChem CID156850143
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane
SMILESCC.Cc1cc(CC(CNC(C)C)C(C)C)cc(C)n1
InChIInChI=1S/C16H28N2.C2H6/c1-11(2)16(10-17-12(3)4)9-15-7-13(5)18-14(6)8-15;1-2/h7-8,11-12,16-17H,9-10H2,1-6H3;1-2H3
InChIKeyCIIUPMZUDHVJBI-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529354
2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 65489905
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 62530134
2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 55082915
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 63522041
5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one
CID 166023376
4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol
CID 102262776
2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 62529340
3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529551
2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 62528167
2-(1,3-benzothiazol-2-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 104631808
6-methyl-4-(2-methylpropyl)pyridin-2-amine
CID 83694910

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane?
The IUPAC name of 2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane (CID 156850143) is 2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane.
What is the SMILES notation for 2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane?
The canonical SMILES for 2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane is CC.Cc1cc(CC(CNC(C)C)C(C)C)cc(C)n1.
What is the InChIKey of 2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane?
The InChIKey is CIIUPMZUDHVJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2.C2H6/c1-11(2)16(10-17-12(3)4)9-15-7-13(5)18-14(6)8-15;1-2/h7-8,11-12,16-17H,9-10H2,1-6H3;1-2H3.
What are the key properties of 2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane?
2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane has a molecular weight of 278.48 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane is sourced from PubChem (CID 156850143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).