1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine

C13H27NO — CID 105151820

IUPAC1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)CC1CCC1
InChIInChI=1S/C13H27NO/c1-4-8-14-13(10-15-11(2)3)9-12-6-5-7-12/h11-14H,4-10H2,1-3H3
InChIKeyZQWVBTIMZZUNHS-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds8

About 1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine

1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine (PubChem CID 105151820) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine
PubChem CID105151820
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)CC1CCC1
InChIInChI=1S/C13H27NO/c1-4-8-14-13(10-15-11(2)3)9-12-6-5-7-12/h11-14H,4-10H2,1-3H3
InChIKeyZQWVBTIMZZUNHS-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-propoxy-N-propylpropan-2-amine
CID 62605609
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
1-cyclopentyl-4-methyl-N-propylhexan-2-amine
CID 115846282
1-cyclopropyl-4-methyl-N-propylpentan-2-amine
CID 64903821
1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine
CID 79575196
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942
1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65134979
1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine
CID 62604821
1-cyclopentyl-N-propyldodecan-2-amine
CID 115845917
1-cyclopentyl-5-ethoxy-N-propylpentan-2-amine
CID 105139073

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine?
The IUPAC name of 1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine (CID 105151820) is 1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine is CCCNC(COC(C)C)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine?
The InChIKey is ZQWVBTIMZZUNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-8-14-13(10-15-11(2)3)9-12-6-5-7-12/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine?
1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine is sourced from PubChem (CID 105151820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).