N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine

C14H29NO2 — CID 55036142

IUPACN-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(OCCOC(C)C)CCCC1
InChIInChI=1S/C14H29NO2/c1-4-9-15-12-14(7-5-6-8-14)17-11-10-16-13(2)3/h13,15H,4-12H2,1-3H3
InChIKeyRRJPFSADWNIQAJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.74
Rot. Bonds9

About N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine

N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine (PubChem CID 55036142) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine
PubChem CID55036142
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(OCCOC(C)C)CCCC1
InChIInChI=1S/C14H29NO2/c1-4-9-15-12-14(7-5-6-8-14)17-11-10-16-13(2)3/h13,15H,4-12H2,1-3H3
InChIKeyRRJPFSADWNIQAJ-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine (CID 55036142) is N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine is CCCNCC1(OCCOC(C)C)CCCC1.
What is the InChIKey of N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine?
The InChIKey is RRJPFSADWNIQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-9-15-12-14(7-5-6-8-14)17-11-10-16-13(2)3/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine?
N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 55036142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).