N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine

C13H27NO3 — CID 81094779

IUPACN-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine
SMILESCCOC(CCNC1CCCC1OC)OCC
InChIInChI=1S/C13H27NO3/c1-4-16-13(17-5-2)9-10-14-11-7-6-8-12(11)15-3/h11-14H,4-10H2,1-3H3
InChIKeyGVSQNAOMCHMOTB-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.93
Rot. Bonds9

About N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine

N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine (PubChem CID 81094779) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine
PubChem CID81094779
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine
SMILESCCOC(CCNC1CCCC1OC)OCC
InChIInChI=1S/C13H27NO3/c1-4-16-13(17-5-2)9-10-14-11-7-6-8-12(11)15-3/h11-14H,4-10H2,1-3H3
InChIKeyGVSQNAOMCHMOTB-UHFFFAOYSA-N
XLogP1.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine (CID 81094779) is N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine is CCOC(CCNC1CCCC1OC)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine?
The InChIKey is GVSQNAOMCHMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-4-16-13(17-5-2)9-10-14-11-7-6-8-12(11)15-3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine?
N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine has a molecular weight of 245.36 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine is sourced from PubChem (CID 81094779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).