N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine

C13H26N2 — CID 81005325

IUPACN-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine
SMILESCCNCC1CCC1CCCNC1CC1
InChIInChI=1S/C13H26N2/c1-2-14-10-12-6-5-11(12)4-3-9-15-13-7-8-13/h11-15H,2-10H2,1H3
InChIKeyHFGJUCCZTHXTGI-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.15
Rot. Bonds8

About N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine

N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine (PubChem CID 81005325) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine
PubChem CID81005325
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine
SMILESCCNCC1CCC1CCCNC1CC1
InChIInChI=1S/C13H26N2/c1-2-14-10-12-6-5-11(12)4-3-9-15-13-7-8-13/h11-15H,2-10H2,1H3
InChIKeyHFGJUCCZTHXTGI-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine (CID 81005325) is N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine is CCNCC1CCC1CCCNC1CC1.
What is the InChIKey of N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine?
The InChIKey is HFGJUCCZTHXTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-14-10-12-6-5-11(12)4-3-9-15-13-7-8-13/h11-15H,2-10H2,1H3.
What are the key properties of N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine?
N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine has a molecular weight of 210.36 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine is sourced from PubChem (CID 81005325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).