(1R)-2,2-dimethylcyclobutan-1-amine

C6H13N — CID 99645727

IUPAC(1R)-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)CC[C@H]1N
InChIInChI=1S/C6H13N/c1-6(2)4-3-5(6)7/h5H,3-4,7H2,1-2H3/t5-/m1/s1
InChIKeyMMWAHLXGFZBYQU-RXMQYKEDSA-N
MW99.18 g/mol
LogP1.13
Rot. Bonds

About (1R)-2,2-dimethylcyclobutan-1-amine

(1R)-2,2-dimethylcyclobutan-1-amine (PubChem CID 99645727) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (1R)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethylcyclobutan-1-amine
PubChem CID99645727
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(1R)-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)CC[C@H]1N
InChIInChI=1S/C6H13N/c1-6(2)4-3-5(6)7/h5H,3-4,7H2,1-2H3/t5-/m1/s1
InChIKeyMMWAHLXGFZBYQU-RXMQYKEDSA-N
XLogP1.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of (1R)-2,2-dimethylcyclobutan-1-amine (CID 99645727) is (1R)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for (1R)-2,2-dimethylcyclobutan-1-amine is CC1(C)CC[C@H]1N.
What is the InChIKey of (1R)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is MMWAHLXGFZBYQU-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13N/c1-6(2)4-3-5(6)7/h5H,3-4,7H2,1-2H3/t5-/m1/s1.
What are the key properties of (1R)-2,2-dimethylcyclobutan-1-amine?
(1R)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 99.18 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 99645727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).