2-(3,3-dimethylcyclobutyl)ethanamine

C8H17N — CID 130636474

IUPAC2-(3,3-dimethylcyclobutyl)ethanamine
SMILESCC1(C)CC(CCN)C1
InChIInChI=1S/C8H17N/c1-8(2)5-7(6-8)3-4-9/h7H,3-6,9H2,1-2H3
InChIKeyPMXKBBBXVVMJQB-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.77
Rot. Bonds2

About 2-(3,3-dimethylcyclobutyl)ethanamine

2-(3,3-dimethylcyclobutyl)ethanamine (PubChem CID 130636474) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-(3,3-dimethylcyclobutyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylcyclobutyl)ethanamine
PubChem CID130636474
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2-(3,3-dimethylcyclobutyl)ethanamine
SMILESCC1(C)CC(CCN)C1
InChIInChI=1S/C8H17N/c1-8(2)5-7(6-8)3-4-9/h7H,3-6,9H2,1-2H3
InChIKeyPMXKBBBXVVMJQB-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylcyclobutyl)ethanamine?
The IUPAC name of 2-(3,3-dimethylcyclobutyl)ethanamine (CID 130636474) is 2-(3,3-dimethylcyclobutyl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylcyclobutyl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylcyclobutyl)ethanamine is CC1(C)CC(CCN)C1.
What is the InChIKey of 2-(3,3-dimethylcyclobutyl)ethanamine?
The InChIKey is PMXKBBBXVVMJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-8(2)5-7(6-8)3-4-9/h7H,3-6,9H2,1-2H3.
What are the key properties of 2-(3,3-dimethylcyclobutyl)ethanamine?
2-(3,3-dimethylcyclobutyl)ethanamine has a molecular weight of 127.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylcyclobutyl)ethanamine is sourced from PubChem (CID 130636474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).