N-(2-pentoxyethyl)butan-1-amine

C11H25NO — CID 54396114

IUPACN-(2-pentoxyethyl)butan-1-amine
SMILESCCCCCOCCNCCCC
InChIInChI=1S/C11H25NO/c1-3-5-7-10-13-11-9-12-8-6-4-2/h12H,3-11H2,1-2H3
InChIKeyVKBHFPCTQCKNNE-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds10

About N-(2-pentoxyethyl)butan-1-amine

N-(2-pentoxyethyl)butan-1-amine (PubChem CID 54396114) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(2-pentoxyethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-pentoxyethyl)butan-1-amine
PubChem CID54396114
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(2-pentoxyethyl)butan-1-amine
SMILESCCCCCOCCNCCCC
InChIInChI=1S/C11H25NO/c1-3-5-7-10-13-11-9-12-8-6-4-2/h12H,3-11H2,1-2H3
InChIKeyVKBHFPCTQCKNNE-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-pentoxyethyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
3-pentoxy-N-propylpropan-1-amine
CID 62451352
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
5-pentoxy-N-propylpentan-1-amine
CID 62451179
3-hexoxy-N-propylpropan-1-amine
CID 62456253
2-[(Z)-octadec-6-enoxy]-N-[2-[(Z)-octadec-6-enoxy]ethyl]ethanamine
CID 88888828
N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine
CID 62584513
bis(2-octoxy-N-(2-octoxyethyl)ethanamine);oxalic acid
CID 171700708

Frequently Asked Questions

What is the IUPAC name of N-(2-pentoxyethyl)butan-1-amine?
The IUPAC name of N-(2-pentoxyethyl)butan-1-amine (CID 54396114) is N-(2-pentoxyethyl)butan-1-amine.
What is the SMILES notation for N-(2-pentoxyethyl)butan-1-amine?
The canonical SMILES for N-(2-pentoxyethyl)butan-1-amine is CCCCCOCCNCCCC.
What is the InChIKey of N-(2-pentoxyethyl)butan-1-amine?
The InChIKey is VKBHFPCTQCKNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-3-5-7-10-13-11-9-12-8-6-4-2/h12H,3-11H2,1-2H3.
What are the key properties of N-(2-pentoxyethyl)butan-1-amine?
N-(2-pentoxyethyl)butan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pentoxyethyl)butan-1-amine is sourced from PubChem (CID 54396114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).