3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine

C13H28N2 — CID 61240080

IUPAC3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
SMILESCC(C)CCNCCN1CCC(C)CC1
InChIInChI=1S/C13H28N2/c1-12(2)4-7-14-8-11-15-9-5-13(3)6-10-15/h12-14H,4-11H2,1-3H3
InChIKeyROCRNDCKHYQONI-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds6

About 3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine

3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine (PubChem CID 61240080) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
PubChem CID61240080
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
SMILESCC(C)CCNCCN1CCC(C)CC1
InChIInChI=1S/C13H28N2/c1-12(2)4-7-14-8-11-15-9-5-13(3)6-10-15/h12-14H,4-11H2,1-3H3
InChIKeyROCRNDCKHYQONI-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]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

3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 28653628
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine
CID 62575365
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pentan-1-amine
CID 61240666
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62575890
formaldehyde;4-methyl-1-(3-methylbutyl)piperidine
CID 143870022
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine
CID 62559187
3-methyl-N-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethyl]butan-1-amine
CID 81205529
N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
CID 63622599
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-4-methylpentan-1-amine
CID 62556377
N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine
CID 81469905
4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 62575512
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine
CID 83221002

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine (CID 61240080) is 3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine is CC(C)CCNCCN1CCC(C)CC1.
What is the InChIKey of 3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine?
The InChIKey is ROCRNDCKHYQONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(2)4-7-14-8-11-15-9-5-13(3)6-10-15/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine?
3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 61240080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).