2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine

C12H25NO — CID 62442191

IUPAC2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(OC1CCC1)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)12(8-13-10(3)4)14-11-6-5-7-11/h9-13H,5-8H2,1-4H3
InChIKeyPCDVIOGZEJALIC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About 2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine

2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 62442191) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID62442191
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(OC1CCC1)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)12(8-13-10(3)4)14-11-6-5-7-11/h9-13H,5-8H2,1-4H3
InChIKeyPCDVIOGZEJALIC-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyloxy-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62442194
N-tert-butyl-2-cyclopentyloxy-3-methylbutan-1-amine
CID 62446329
3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 63492137
3-amino-2-cyclobutyloxy-4-methylpentan-1-ol
CID 114358246
N-[2-(4-chlorophenyl)-2-cyclobutyloxyethyl]propan-2-amine
CID 62382200
2,5-dimethylhex-5-en-3-yloxycyclohexane
CID 123198142
N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 62383669
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine
CID 64738125
N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine
CID 63475562
N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine
CID 62108612
N-(2-cyclobutyloxypropyl)-3-methylbutan-1-amine
CID 62583080
N-(2-cycloheptyloxypropyl)cyclopropanamine
CID 62460037

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine (CID 62442191) is 2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(OC1CCC1)C(C)C.
What is the InChIKey of 2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is PCDVIOGZEJALIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)12(8-13-10(3)4)14-11-6-5-7-11/h9-13H,5-8H2,1-4H3.
What are the key properties of 2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine?
2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62442191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).