N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine

C13H27NO2 — CID 63686610

IUPACN-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
SMILESCCCOCCOCCNCC1CCCC1
InChIInChI=1S/C13H27NO2/c1-2-8-15-10-11-16-9-7-14-12-13-5-3-4-6-13/h13-14H,2-12H2,1H3
InChIKeyRKQYKYSZJNGYIL-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds10

About N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine

N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine (PubChem CID 63686610) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
PubChem CID63686610
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
SMILESCCCOCCOCCNCC1CCCC1
InChIInChI=1S/C13H27NO2/c1-2-8-15-10-11-16-9-7-14-12-13-5-3-4-6-13/h13-14H,2-12H2,1H3
InChIKeyRKQYKYSZJNGYIL-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
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

N-(cyclopentylmethyl)-2-heptoxyethanamine
CID 62598497
N-(oxan-3-ylmethyl)-2-propoxyethanamine
CID 106451725
N-(cyclopentylmethyl)-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103952800
[2-[(2-propoxyethylamino)methyl]cyclopentyl]methanol
CID 106452162
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine
CID 62599762
2-butoxy-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63243752
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate
CID 103237731
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
N-[(1,1-dioxothiolan-2-yl)methyl]-2-propoxyethanamine
CID 106452257

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine (CID 63686610) is N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine is CCCOCCOCCNCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine?
The InChIKey is RKQYKYSZJNGYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-8-15-10-11-16-9-7-14-12-13-5-3-4-6-13/h13-14H,2-12H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine?
N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine is sourced from PubChem (CID 63686610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).