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

C14H29NO2 — CID 62108144

IUPACN-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OCCOC(C)C)CCCC1
InChIInChI=1S/C14H29NO2/c1-12(2)15-11-14(7-5-6-8-14)17-10-9-16-13(3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyZZCNZBCBKRRXIQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.74
Rot. Bonds8

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

N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-2-amine (PubChem CID 62108144) 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-2-amine.

Molecular Properties

Compound NameN-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-2-amine
PubChem CID62108144
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OCCOC(C)C)CCCC1
InChIInChI=1S/C14H29NO2/c1-12(2)15-11-14(7-5-6-8-14)17-10-9-16-13(3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyZZCNZBCBKRRXIQ-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-2-amine?
The IUPAC name of N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-2-amine (CID 62108144) is N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-2-amine is CC(C)NCC1(OCCOC(C)C)CCCC1.
What is the InChIKey of N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-2-amine?
The InChIKey is ZZCNZBCBKRRXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2)15-11-14(7-5-6-8-14)17-10-9-16-13(3)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-2-amine?
N-[[1-(2-propan-2-yloxyethoxy)cyclopentyl]methyl]propan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 2.74, 8 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-2-amine is sourced from PubChem (CID 62108144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).