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

C12H27NO — CID 71071837

IUPAC2-butyl-N-methylcyclobutan-1-amine;propan-1-ol
SMILESCCCCC1CCC1NC.CCCO
InChIInChI=1S/C9H19N.C3H8O/c1-3-4-5-8-6-7-9(8)10-2;1-2-3-4/h8-10H,3-7H2,1-2H3;4H,2-3H2,1H3
InChIKeyPPDSVJYAZZKYOB-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.56
Rot. Bonds5

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

2-butyl-N-methylcyclobutan-1-amine;propan-1-ol (PubChem CID 71071837) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-butyl-N-methylcyclobutan-1-amine;propan-1-ol.

Molecular Properties

Compound Name2-butyl-N-methylcyclobutan-1-amine;propan-1-ol
PubChem CID71071837
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-butyl-N-methylcyclobutan-1-amine;propan-1-ol
SMILESCCCCC1CCC1NC.CCCO
InChIInChI=1S/C9H19N.C3H8O/c1-3-4-5-8-6-7-9(8)10-2;1-2-3-4/h8-10H,3-7H2,1-2H3;4H,2-3H2,1H3
InChIKeyPPDSVJYAZZKYOB-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-methylcyclobutan-1-amine;propan-1-ol?
The IUPAC name of 2-butyl-N-methylcyclobutan-1-amine;propan-1-ol (CID 71071837) is 2-butyl-N-methylcyclobutan-1-amine;propan-1-ol.
What is the SMILES notation for 2-butyl-N-methylcyclobutan-1-amine;propan-1-ol?
The canonical SMILES for 2-butyl-N-methylcyclobutan-1-amine;propan-1-ol is CCCCC1CCC1NC.CCCO.
What is the InChIKey of 2-butyl-N-methylcyclobutan-1-amine;propan-1-ol?
The InChIKey is PPDSVJYAZZKYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C3H8O/c1-3-4-5-8-6-7-9(8)10-2;1-2-3-4/h8-10H,3-7H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of 2-butyl-N-methylcyclobutan-1-amine;propan-1-ol?
2-butyl-N-methylcyclobutan-1-amine;propan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-methylcyclobutan-1-amine;propan-1-ol is sourced from PubChem (CID 71071837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).