N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine

C14H29NO2 — CID 66323366

IUPACN-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCCOCC1CCCC1
InChIInChI=1S/C14H29NO2/c1-13(2)17-10-5-8-15-9-11-16-12-14-6-3-4-7-14/h13-15H,3-12H2,1-2H3
InChIKeySITNRFDYZMURJT-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds10

About N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine

N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 66323366) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine
PubChem CID66323366
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCCOCC1CCCC1
InChIInChI=1S/C14H29NO2/c1-13(2)17-10-5-8-15-9-11-16-12-14-6-3-4-7-14/h13-15H,3-12H2,1-2H3
InChIKeySITNRFDYZMURJT-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
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-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine (CID 66323366) is N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCCOCC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is SITNRFDYZMURJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2)17-10-5-8-15-9-11-16-12-14-6-3-4-7-14/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine?
N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 66323366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).