N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine

C12H26N2 — CID 62437965

IUPACN-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine
SMILESCCNCCCCN1CCCC(C)C1
InChIInChI=1S/C12H26N2/c1-3-13-8-4-5-9-14-10-6-7-12(2)11-14/h12-13H,3-11H2,1-2H3
InChIKeyHHMWEXQDRRFWPM-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds6

About N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine

N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine (PubChem CID 62437965) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine
PubChem CID62437965
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine
SMILESCCNCCCCN1CCCC(C)C1
InChIInChI=1S/C12H26N2/c1-3-13-8-4-5-9-14-10-6-7-12(2)11-14/h12-13H,3-11H2,1-2H3
InChIKeyHHMWEXQDRRFWPM-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine
CID 115887279
1-butyl-3-methylpiperidine;ethane
CID 143349503
1-heptyl-3-methylpiperidine;methanesulfonic acid
CID 175583555
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
N',3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111143864
ethane;3-methyl-1-propylpiperidine
CID 156729460
3-methyl-1-propylpiperidine;propane
CID 145147959
1-tert-butyl-3-ethyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110964986
1-[5-(ethylamino)pentyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166700
1-tert-butyl-2-methyl-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine
CID 110964985
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine (CID 62437965) is N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine is CCNCCCCN1CCCC(C)C1.
What is the InChIKey of N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine?
The InChIKey is HHMWEXQDRRFWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-13-8-4-5-9-14-10-6-7-12(2)11-14/h12-13H,3-11H2,1-2H3.
What are the key properties of N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine?
N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 62437965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).