cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C10H21NO — CID 95240984

IUPACcis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)CO[C@@H]1C[C@H](N)C1(C)C
InChIInChI=1S/C10H21NO/c1-7(2)6-12-9-5-8(11)10(9,3)4/h7-9H,5-6,11H2,1-4H3/t8-,9+/m0/s1
InChIKeyJLXVSEZUCBIICW-DTWKUNHWSA-N
MW171.28 g/mol
LogP1.78
Rot. Bonds3

About cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 95240984) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID95240984
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namecis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)CO[C@@H]1C[C@H](N)C1(C)C
InChIInChI=1S/C10H21NO/c1-7(2)6-12-9-5-8(11)10(9,3)4/h7-9H,5-6,11H2,1-4H3/t8-,9+/m0/s1
InChIKeyJLXVSEZUCBIICW-DTWKUNHWSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-3-(4-methylpentoxy)cyclobutan-1-amine
CID 66357426
2,2-dimethyl-3-propoxycyclobutan-1-amine
CID 66357857
2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
CID 82710964
cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 95970229
3-heptoxy-2,2-dimethylcyclobutan-1-amine
CID 66359446
3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanamide
CID 64851177
2,2-dimethyl-3-octan-2-yloxycyclobutan-1-amine
CID 66357818
methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate
CID 64850189
1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 64850582
2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
CID 66357192
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol
CID 103921147
(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid
CID 114283260

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 95240984) is cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is CC(C)CO[C@@H]1C[C@H](N)C1(C)C.
What is the InChIKey of cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is JLXVSEZUCBIICW-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)6-12-9-5-8(11)10(9,3)4/h7-9H,5-6,11H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 95240984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).