N-(1-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine

C15H29NO2 — CID 62632253

IUPACN-(1-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
SMILESCC(NCCCOCC1CCCO1)C1CCCC1
InChIInChI=1S/C15H29NO2/c1-13(14-6-2-3-7-14)16-9-5-10-17-12-15-8-4-11-18-15/h13-16H,2-12H2,1H3
InChIKeyAYTJYMUOFIXGDQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds8

About N-(1-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine

N-(1-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine (PubChem CID 62632253) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
PubChem CID62632253
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(1-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
SMILESCC(NCCCOCC1CCCO1)C1CCCC1
InChIInChI=1S/C15H29NO2/c1-13(14-6-2-3-7-14)16-9-5-10-17-12-15-8-4-11-18-15/h13-16H,2-12H2,1H3
InChIKeyAYTJYMUOFIXGDQ-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
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-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-(1-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine (CID 62632253) is N-(1-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-(1-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-(1-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine is CC(NCCCOCC1CCCO1)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine?
The InChIKey is AYTJYMUOFIXGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(14-6-2-3-7-14)16-9-5-10-17-12-15-8-4-11-18-15/h13-16H,2-12H2,1H3.
What are the key properties of N-(1-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine?
N-(1-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine has a molecular weight of 255.40 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-cyclopentylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 62632253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).