N-(oxolan-2-ylmethyl)-2-undecoxyethanamine

C18H37NO2 — CID 22091535

IUPACN-(oxolan-2-ylmethyl)-2-undecoxyethanamine
SMILESCCCCCCCCCCCOCCNCC1CCCO1
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-14-20-16-13-19-17-18-12-11-15-21-18/h18-19H,2-17H2,1H3
InChIKeyDUIBSZFGHNOZOZ-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.30
Rot. Bonds15

About N-(oxolan-2-ylmethyl)-2-undecoxyethanamine

N-(oxolan-2-ylmethyl)-2-undecoxyethanamine (PubChem CID 22091535) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-undecoxyethanamine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-undecoxyethanamine
PubChem CID22091535
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC NameN-(oxolan-2-ylmethyl)-2-undecoxyethanamine
SMILESCCCCCCCCCCCOCCNCC1CCCO1
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-14-20-16-13-19-17-18-12-11-15-21-18/h18-19H,2-17H2,1H3
InChIKeyDUIBSZFGHNOZOZ-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 103285818
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648
N-(cyclopentylmethyl)-2-heptoxyethanamine
CID 62598497
N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82957862
2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 106206326
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
2-(oxolan-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106451738
2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61483218
2-cyclopentyloxy-N-(oxan-2-ylmethyl)ethanamine
CID 63827330

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-undecoxyethanamine?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-undecoxyethanamine (CID 22091535) is N-(oxolan-2-ylmethyl)-2-undecoxyethanamine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-undecoxyethanamine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-undecoxyethanamine is CCCCCCCCCCCOCCNCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-undecoxyethanamine?
The InChIKey is DUIBSZFGHNOZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-14-20-16-13-19-17-18-12-11-15-21-18/h18-19H,2-17H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-2-undecoxyethanamine?
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine has a molecular weight of 299.50 g/mol, XLogP of 4.30, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-undecoxyethanamine is sourced from PubChem (CID 22091535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).