N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine

C14H30N2 — CID 83143766

IUPACN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCCC1(CN)CCC1)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-12(13(2,3)4)10-16-9-8-14(11-15)6-5-7-14/h12,16H,5-11,15H2,1-4H3
InChIKeyDBESNJMSJZNYIC-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.78
Rot. Bonds6

About N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine

N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine (PubChem CID 83143766) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine
PubChem CID83143766
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCCC1(CN)CCC1)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-12(13(2,3)4)10-16-9-8-14(11-15)6-5-7-14/h12,16H,5-11,15H2,1-4H3
InChIKeyDBESNJMSJZNYIC-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
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 N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine (CID 83143766) is N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine is CC(CNCCC1(CN)CCC1)C(C)(C)C.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine?
The InChIKey is DBESNJMSJZNYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(13(2,3)4)10-16-9-8-14(11-15)6-5-7-14/h12,16H,5-11,15H2,1-4H3.
What are the key properties of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine?
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine has a molecular weight of 226.41 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 N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 83143766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).