N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine

C13H22N2 — CID 105022959

IUPACN,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
SMILESCNC(c1cncc(C)c1)C(C)C(C)C
InChIInChI=1S/C13H22N2/c1-9(2)11(4)13(14-5)12-6-10(3)7-15-8-12/h6-9,11,13-14H,1-5H3
InChIKeyDVPCSWKCWWMDJW-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.94
Rot. Bonds4

About N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine

N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine (PubChem CID 105022959) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
PubChem CID105022959
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
SMILESCNC(c1cncc(C)c1)C(C)C(C)C
InChIInChI=1S/C13H22N2/c1-9(2)11(4)13(14-5)12-6-10(3)7-15-8-12/h6-9,11,13-14H,1-5H3
InChIKeyDVPCSWKCWWMDJW-UHFFFAOYSA-N
XLogP2.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine 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

2-methoxy-N-methyl-1-(5-methyl-3-pyridinyl)propan-1-amine
CID 115374857
2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 105023232
2-methyl-N-[1-(5-methyl-3-pyridinyl)ethyl]propan-2-amine
CID 130660349
2-cyclohexyl-2-methoxy-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 116771590
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
N-methyl-1-(5-methyl-3-pyridinyl)-1-phenylmethanamine
CID 115374320
2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 116721522
[2-methyl-1-(5-methyl-3-pyridinyl)pentyl]hydrazine
CID 105328587
N-methyl-1-(5-methyl-3-pyridinyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 105155131
2-cyclopropyl-N-ethyl-1-(5-methyl-3-pyridinyl)propan-1-amine
CID 105022949
1-(3-chloro-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023291
N-methyl-1-(5-methyl-3-pyridinyl)-1-pyridin-3-ylmethanamine
CID 115374295

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
The IUPAC name of N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine (CID 105022959) is N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine.
What is the SMILES notation for N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
The canonical SMILES for N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine is CNC(c1cncc(C)c1)C(C)C(C)C.
What is the InChIKey of N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
The InChIKey is DVPCSWKCWWMDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9(2)11(4)13(14-5)12-6-10(3)7-15-8-12/h6-9,11,13-14H,1-5H3.
What are the key properties of N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 105022959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).