N-(2-undecoxyethyl)propan-1-amine

C16H35NO — CID 22091510

IUPACN-(2-undecoxyethyl)propan-1-amine
SMILESCCCCCCCCCCCOCCNCCC
InChIInChI=1S/C16H35NO/c1-3-5-6-7-8-9-10-11-12-15-18-16-14-17-13-4-2/h17H,3-16H2,1-2H3
InChIKeyJSNMDCDWQKAJCN-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.53
Rot. Bonds15

About N-(2-undecoxyethyl)propan-1-amine

N-(2-undecoxyethyl)propan-1-amine (PubChem CID 22091510) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-(2-undecoxyethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-undecoxyethyl)propan-1-amine
PubChem CID22091510
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-(2-undecoxyethyl)propan-1-amine
SMILESCCCCCCCCCCCOCCNCCC
InChIInChI=1S/C16H35NO/c1-3-5-6-7-8-9-10-11-12-15-18-16-14-17-13-4-2/h17H,3-16H2,1-2H3
InChIKeyJSNMDCDWQKAJCN-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
5-pentoxy-N-propylpentan-1-amine
CID 62451179
3-hexoxy-N-propylpropan-1-amine
CID 62456253
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
3-pentoxy-N-propylpropan-1-amine
CID 62451352
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
2-[(Z)-octadec-6-enoxy]-N-[2-[(Z)-octadec-6-enoxy]ethyl]ethanamine
CID 88888828
bis(2-octoxy-N-(2-octoxyethyl)ethanamine);oxalic acid
CID 171700708
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
4-[2-(propylamino)ethoxy]butan-1-ol
CID 106937948

Frequently Asked Questions

What is the IUPAC name of N-(2-undecoxyethyl)propan-1-amine?
The IUPAC name of N-(2-undecoxyethyl)propan-1-amine (CID 22091510) is N-(2-undecoxyethyl)propan-1-amine.
What is the SMILES notation for N-(2-undecoxyethyl)propan-1-amine?
The canonical SMILES for N-(2-undecoxyethyl)propan-1-amine is CCCCCCCCCCCOCCNCCC.
What is the InChIKey of N-(2-undecoxyethyl)propan-1-amine?
The InChIKey is JSNMDCDWQKAJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-3-5-6-7-8-9-10-11-12-15-18-16-14-17-13-4-2/h17H,3-16H2,1-2H3.
What are the key properties of N-(2-undecoxyethyl)propan-1-amine?
N-(2-undecoxyethyl)propan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.53, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-undecoxyethyl)propan-1-amine is sourced from PubChem (CID 22091510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).