butylaminomethanol;propane

C8H21NO — CID 169245417

IUPACbutylaminomethanol;propane
SMILESCCC.CCCCNCO
InChIInChI=1S/C5H13NO.C3H8/c1-2-3-4-6-5-7;1-3-2/h6-7H,2-5H2,1H3;3H2,1-2H3
InChIKeyRTWQMTFKMCGKGX-UHFFFAOYSA-N
MW147.26 g/mol
LogP1.74
Rot. Bonds4

About butylaminomethanol;propane

butylaminomethanol;propane (PubChem CID 169245417) has the molecular formula C8H21NO and a molecular weight of 147.26 g/mol. Its IUPAC name is butylaminomethanol;propane.

Molecular Properties

Compound Namebutylaminomethanol;propane
PubChem CID169245417
Molecular FormulaC8H21NO
Molecular Weight147.26 g/mol
Exact Mass147.16
IUPAC Namebutylaminomethanol;propane
SMILESCCC.CCCCNCO
InChIInChI=1S/C5H13NO.C3H8/c1-2-3-4-6-5-7;1-3-2/h6-7H,2-5H2,1H3;3H2,1-2H3
InChIKeyRTWQMTFKMCGKGX-UHFFFAOYSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(pentylamino)methanol;hydrate
CID 174681478
N-butylbutan-1-amine;propan-1-ol
CID 174657089
[[(Z)-octadec-9-enyl]amino]methanol
CID 143220768
[12-(hydroxymethylamino)dodecylamino]methanol
CID 20588216
N-butylbutan-1-amine;hydrochloride
CID 3083954
methanol;propylaminomethanol;hydrate
CID 173447379
potassium;N-butylbutan-1-amine;hydride
CID 174461538
N-butylbutan-1-amine;hydroxy(methyl)silane
CID 173448085
N-butyltetradecan-1-amine
CID 3548872
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
N-butyl-2-methylbut-2-en-1-amine
CID 76568540
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739

Frequently Asked Questions

What is the IUPAC name of butylaminomethanol;propane?
The IUPAC name of butylaminomethanol;propane (CID 169245417) is butylaminomethanol;propane.
What is the SMILES notation for butylaminomethanol;propane?
The canonical SMILES for butylaminomethanol;propane is CCC.CCCCNCO.
What is the InChIKey of butylaminomethanol;propane?
The InChIKey is RTWQMTFKMCGKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.C3H8/c1-2-3-4-6-5-7;1-3-2/h6-7H,2-5H2,1H3;3H2,1-2H3.
What are the key properties of butylaminomethanol;propane?
butylaminomethanol;propane has a molecular weight of 147.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylaminomethanol;propane is sourced from PubChem (CID 169245417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).