N-butylbutan-1-amine;propan-1-ol

C11H27NO — CID 174657089

IUPACN-butylbutan-1-amine;propan-1-ol
SMILESCCCCNCCCC.CCCO
InChIInChI=1S/C8H19N.C3H8O/c1-3-5-7-9-8-6-4-2;1-2-3-4/h9H,3-8H2,1-2H3;4H,2-3H2,1H3
InChIKeyRVELQOXPMGBYIW-UHFFFAOYSA-N
MW189.34 g/mol
LogP2.56
Rot. Bonds7

About N-butylbutan-1-amine;propan-1-ol

N-butylbutan-1-amine;propan-1-ol (PubChem CID 174657089) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is N-butylbutan-1-amine;propan-1-ol.

Molecular Properties

Compound NameN-butylbutan-1-amine;propan-1-ol
PubChem CID174657089
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC NameN-butylbutan-1-amine;propan-1-ol
SMILESCCCCNCCCC.CCCO
InChIInChI=1S/C8H19N.C3H8O/c1-3-5-7-9-8-6-4-2;1-2-3-4/h9H,3-8H2,1-2H3;4H,2-3H2,1H3
InChIKeyRVELQOXPMGBYIW-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butylbutan-1-amine;hydroxy(methyl)silane
CID 173448085
N-butylbutan-1-amine;hydrochloride
CID 3083954
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
8-(undecylamino)octan-1-ol
CID 139305047
potassium;N-butylbutan-1-amine;hydride
CID 174461538
acetic acid;bis(2-(butylamino)ethanol)
CID 172848833
sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride
CID 173350760
butylaminomethanol;propane
CID 169245417
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol
CID 166951317
N-butyltetradecan-1-amine
CID 3548872
N'-butyl-N-propylethane-1,2-diamine
CID 54806979

Frequently Asked Questions

What is the IUPAC name of N-butylbutan-1-amine;propan-1-ol?
The IUPAC name of N-butylbutan-1-amine;propan-1-ol (CID 174657089) is N-butylbutan-1-amine;propan-1-ol.
What is the SMILES notation for N-butylbutan-1-amine;propan-1-ol?
The canonical SMILES for N-butylbutan-1-amine;propan-1-ol is CCCCNCCCC.CCCO.
What is the InChIKey of N-butylbutan-1-amine;propan-1-ol?
The InChIKey is RVELQOXPMGBYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C3H8O/c1-3-5-7-9-8-6-4-2;1-2-3-4/h9H,3-8H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of N-butylbutan-1-amine;propan-1-ol?
N-butylbutan-1-amine;propan-1-ol has a molecular weight of 189.34 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbutan-1-amine;propan-1-ol is sourced from PubChem (CID 174657089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).