N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine

C15H31NO2 — CID 104749456

IUPACN-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCCOCCC)C1CCCC1
InChIInChI=1S/C15H31NO2/c1-3-9-16-15(14-7-5-6-8-14)13-18-12-11-17-10-4-2/h14-16H,3-13H2,1-2H3
InChIKeyVPWXABZKTWJNCV-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds11

About N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine

N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine (PubChem CID 104749456) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine
PubChem CID104749456
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCCOCCC)C1CCCC1
InChIInChI=1S/C15H31NO2/c1-3-9-16-15(14-7-5-6-8-14)13-18-12-11-17-10-4-2/h14-16H,3-13H2,1-2H3
InChIKeyVPWXABZKTWJNCV-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
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-(1-cyclobutyl-2-propoxyethyl)propan-1-amine
CID 79574757
N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104560815
N-[1-cyclohexyl-2-(2-cyclopropylethoxy)ethyl]propan-1-amine
CID 114157400
1-cyclopropyl-N-methyl-2-(2-propoxyethoxy)ethanamine
CID 63907333
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942
N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105165367
2-butoxy-1-cyclopentyl-N-ethylethanamine
CID 104749090
N-[2-(cyclohexylmethoxy)-1-cyclopropylethyl]propan-1-amine
CID 63906067
N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine
CID 66233363
1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105080973
1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447381
1-cyclohexyl-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 104748657

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine (CID 104749456) is N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine is CCCNC(COCCOCCC)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine?
The InChIKey is VPWXABZKTWJNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-9-16-15(14-7-5-6-8-14)13-18-12-11-17-10-4-2/h14-16H,3-13H2,1-2H3.
What are the key properties of N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine?
N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 104749456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).