butan-1-ol;2-butyl-N-methylcyclobutan-1-amine

C13H29NO — CID 71071171

IUPACbutan-1-ol;2-butyl-N-methylcyclobutan-1-amine
SMILESCCCCC1CCC1NC.CCCCO
InChIInChI=1S/C9H19N.C4H10O/c1-3-4-5-8-6-7-9(8)10-2;1-2-3-4-5/h8-10H,3-7H2,1-2H3;5H,2-4H2,1H3
InChIKeyOLPJZIHMVZJWLB-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.95
Rot. Bonds6

About butan-1-ol;2-butyl-N-methylcyclobutan-1-amine

butan-1-ol;2-butyl-N-methylcyclobutan-1-amine (PubChem CID 71071171) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is butan-1-ol;2-butyl-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Namebutan-1-ol;2-butyl-N-methylcyclobutan-1-amine
PubChem CID71071171
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Namebutan-1-ol;2-butyl-N-methylcyclobutan-1-amine
SMILESCCCCC1CCC1NC.CCCCO
InChIInChI=1S/C9H19N.C4H10O/c1-3-4-5-8-6-7-9(8)10-2;1-2-3-4-5/h8-10H,3-7H2,1-2H3;5H,2-4H2,1H3
InChIKeyOLPJZIHMVZJWLB-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;2-butyl-N-methylcyclobutan-1-amine?
The IUPAC name of butan-1-ol;2-butyl-N-methylcyclobutan-1-amine (CID 71071171) is butan-1-ol;2-butyl-N-methylcyclobutan-1-amine.
What is the SMILES notation for butan-1-ol;2-butyl-N-methylcyclobutan-1-amine?
The canonical SMILES for butan-1-ol;2-butyl-N-methylcyclobutan-1-amine is CCCCC1CCC1NC.CCCCO.
What is the InChIKey of butan-1-ol;2-butyl-N-methylcyclobutan-1-amine?
The InChIKey is OLPJZIHMVZJWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C4H10O/c1-3-4-5-8-6-7-9(8)10-2;1-2-3-4-5/h8-10H,3-7H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;2-butyl-N-methylcyclobutan-1-amine?
butan-1-ol;2-butyl-N-methylcyclobutan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;2-butyl-N-methylcyclobutan-1-amine is sourced from PubChem (CID 71071171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).