butan-1-amine;propan-2-ol

C7H19NO — CID 174667581

IUPACbutan-1-amine;propan-2-ol
SMILESCC(C)O.CCCCN
InChIInChI=1S/C4H11N.C3H8O/c1-2-3-4-5;1-3(2)4/h2-5H2,1H3;3-4H,1-2H3
InChIKeyBIEICCMVYBCZIR-UHFFFAOYSA-N
MW133.23 g/mol
LogP1.13
Rot. Bonds2

About butan-1-amine;propan-2-ol

butan-1-amine;propan-2-ol (PubChem CID 174667581) has the molecular formula C7H19NO and a molecular weight of 133.23 g/mol. Its IUPAC name is butan-1-amine;propan-2-ol.

Molecular Properties

Compound Namebutan-1-amine;propan-2-ol
PubChem CID174667581
Molecular FormulaC7H19NO
Molecular Weight133.23 g/mol
Exact Mass133.15
IUPAC Namebutan-1-amine;propan-2-ol
SMILESCC(C)O.CCCCN
InChIInChI=1S/C4H11N.C3H8O/c1-2-3-4-5;1-3(2)4/h2-5H2,1H3;3-4H,1-2H3
InChIKeyBIEICCMVYBCZIR-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

dodecan-1-amine;bis(propan-2-ol)
CID 19742183
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
CID 159237160
CID 159237160
butan-1-amine;propane-1,2,3-triol;hydrobromide
CID 174855809
octane;propan-2-ol
CID 160746796
tris(butan-1-amine);methylsilane
CID 161377074
4-aminobutan-2-ol;octan-1-amine
CID 21412295
azane;butan-1-amine;ethane;hydrate
CID 159979344
butan-1-amine;dodecan-1-amine
CID 158532895
decan-1-amine;2-hydroxypropanoic acid
CID 88700123
dodecakis(butan-1-amine);fluorophosphonous acid
CID 173225344
hexadecan-1-amine;2-methylpropane;hydrochloride
CID 173319853

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;propan-2-ol?
The IUPAC name of butan-1-amine;propan-2-ol (CID 174667581) is butan-1-amine;propan-2-ol.
What is the SMILES notation for butan-1-amine;propan-2-ol?
The canonical SMILES for butan-1-amine;propan-2-ol is CC(C)O.CCCCN.
What is the InChIKey of butan-1-amine;propan-2-ol?
The InChIKey is BIEICCMVYBCZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H8O/c1-2-3-4-5;1-3(2)4/h2-5H2,1H3;3-4H,1-2H3.
What are the key properties of butan-1-amine;propan-2-ol?
butan-1-amine;propan-2-ol has a molecular weight of 133.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;propan-2-ol is sourced from PubChem (CID 174667581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).