1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol

C13H27NO — CID 71071365

IUPAC1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol
SMILESCCCC(O)N(C)C1CCC1CC(C)C
InChIInChI=1S/C13H27NO/c1-5-6-13(15)14(4)12-8-7-11(12)9-10(2)3/h10-13,15H,5-9H2,1-4H3
InChIKeyYNNTVKOIEWNMKE-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.86
Rot. Bonds6

About 1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol

1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol (PubChem CID 71071365) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol.

Molecular Properties

Compound Name1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol
PubChem CID71071365
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol
SMILESCCCC(O)N(C)C1CCC1CC(C)C
InChIInChI=1S/C13H27NO/c1-5-6-13(15)14(4)12-8-7-11(12)9-10(2)3/h10-13,15H,5-9H2,1-4H3
InChIKeyYNNTVKOIEWNMKE-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol?
The IUPAC name of 1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol (CID 71071365) is 1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol.
What is the SMILES notation for 1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol?
The canonical SMILES for 1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol is CCCC(O)N(C)C1CCC1CC(C)C.
What is the InChIKey of 1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol?
The InChIKey is YNNTVKOIEWNMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-6-13(15)14(4)12-8-7-11(12)9-10(2)3/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol?
1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-(2-methylpropyl)cyclobutyl]amino]butan-1-ol is sourced from PubChem (CID 71071365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).