2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C15H30N2 — CID 81169943

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC1(C)C(CNCCC2(CN)CCC2)C1(C)C
InChIInChI=1S/C15H30N2/c1-13(2)12(14(13,3)4)10-17-9-8-15(11-16)6-5-7-15/h12,17H,5-11,16H2,1-4H3
InChIKeyDGABHMQFAUSQSY-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.78
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 81169943) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID81169943
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC1(C)C(CNCCC2(CN)CCC2)C1(C)C
InChIInChI=1S/C15H30N2/c1-13(2)12(14(13,3)4)10-17-9-8-15(11-16)6-5-7-15/h12,17H,5-11,16H2,1-4H3
InChIKeyDGABHMQFAUSQSY-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.78
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 2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 81169943) is 2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CC1(C)C(CNCCC2(CN)CCC2)C1(C)C.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is DGABHMQFAUSQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13(2)12(14(13,3)4)10-17-9-8-15(11-16)6-5-7-15/h12,17H,5-11,16H2,1-4H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 238.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 81169943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).