N-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine

C14H29N3 — CID 80998347

IUPACN-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
SMILESCCNCC1CCC1N(C)C1CCN(C)CC1
InChIInChI=1S/C14H29N3/c1-4-15-11-12-5-6-14(12)17(3)13-7-9-16(2)10-8-13/h12-15H,4-11H2,1-3H3
InChIKeyZNQYIJCXCYNHBX-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds5

About N-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine

N-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 80998347) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
PubChem CID80998347
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
SMILESCCNCC1CCC1N(C)C1CCN(C)CC1
InChIInChI=1S/C14H29N3/c1-4-15-11-12-5-6-14(12)17(3)13-7-9-16(2)10-8-13/h12-15H,4-11H2,1-3H3
InChIKeyZNQYIJCXCYNHBX-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine (CID 80998347) is N-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine is CCNCC1CCC1N(C)C1CCN(C)CC1.
What is the InChIKey of N-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is ZNQYIJCXCYNHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-15-11-12-5-6-14(12)17(3)13-7-9-16(2)10-8-13/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine?
N-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 80998347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).