4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine

C14H31N3 — CID 19845936

IUPAC4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine
SMILESCCN(CC)CC1CCCCN1CCCCN
InChIInChI=1S/C14H31N3/c1-3-16(4-2)13-14-9-5-7-11-17(14)12-8-6-10-15/h14H,3-13,15H2,1-2H3
InChIKeyVIJLZDHIRXBMKQ-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.92
Rot. Bonds8

About 4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine

4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine (PubChem CID 19845936) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine
PubChem CID19845936
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine
SMILESCCN(CC)CC1CCCCN1CCCCN
InChIInChI=1S/C14H31N3/c1-3-16(4-2)13-14-9-5-7-11-17(14)12-8-6-10-15/h14H,3-13,15H2,1-2H3
InChIKeyVIJLZDHIRXBMKQ-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine
CID 92982304
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine
CID 63760471
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propan-1-amine
CID 129323114
(1-dodecylazepan-2-yl)methanamine
CID 116640397
3-[2-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 121201536
3-(1-pentylpyrrolidin-2-yl)propan-1-amine
CID 63762476
(1-butylazepan-2-yl)methanamine
CID 116640391
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554164

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine?
The IUPAC name of 4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine (CID 19845936) is 4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine?
The canonical SMILES for 4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine is CCN(CC)CC1CCCCN1CCCCN.
What is the InChIKey of 4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine?
The InChIKey is VIJLZDHIRXBMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-3-16(4-2)13-14-9-5-7-11-17(14)12-8-6-10-15/h14H,3-13,15H2,1-2H3.
What are the key properties of 4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine?
4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine is sourced from PubChem (CID 19845936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).