N-(2-pentoxypentyl)cyclopropanamine

C13H27NO — CID 83045907

IUPACN-(2-pentoxypentyl)cyclopropanamine
SMILESCCCCCOC(CCC)CNC1CC1
InChIInChI=1S/C13H27NO/c1-3-5-6-10-15-13(7-4-2)11-14-12-8-9-12/h12-14H,3-11H2,1-2H3
InChIKeyPBLJFPVAWJHZGR-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds10

About N-(2-pentoxypentyl)cyclopropanamine

N-(2-pentoxypentyl)cyclopropanamine (PubChem CID 83045907) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(2-pentoxypentyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-pentoxypentyl)cyclopropanamine
PubChem CID83045907
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(2-pentoxypentyl)cyclopropanamine
SMILESCCCCCOC(CCC)CNC1CC1
InChIInChI=1S/C13H27NO/c1-3-5-6-10-15-13(7-4-2)11-14-12-8-9-12/h12-14H,3-11H2,1-2H3
InChIKeyPBLJFPVAWJHZGR-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hexoxy-N-propan-2-ylpentan-1-amine
CID 83044468
N-[2-(oxan-2-ylmethoxy)pentyl]cyclopropanamine
CID 83045877
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631
N-[2-(3-methylbutoxy)butyl]cyclopropanamine
CID 62445151
N-(4-hexoxypentyl)cyclopropanamine
CID 62455519
1-[(2S)-2-octadecoxypentoxy]octadecane
CID 173435478
N-(2-ethyldodecyl)cyclopropanamine
CID 63521510
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-(2-propoxypropyl)cyclopropanamine
CID 62451872
N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine
CID 106449904
N-[2-(2-methoxyethyl)pentyl]cyclopropanamine
CID 62528132
N-(2-propan-2-yltetradecyl)cyclopropanamine
CID 63520975

Frequently Asked Questions

What is the IUPAC name of N-(2-pentoxypentyl)cyclopropanamine?
The IUPAC name of N-(2-pentoxypentyl)cyclopropanamine (CID 83045907) is N-(2-pentoxypentyl)cyclopropanamine.
What is the SMILES notation for N-(2-pentoxypentyl)cyclopropanamine?
The canonical SMILES for N-(2-pentoxypentyl)cyclopropanamine is CCCCCOC(CCC)CNC1CC1.
What is the InChIKey of N-(2-pentoxypentyl)cyclopropanamine?
The InChIKey is PBLJFPVAWJHZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-6-10-15-13(7-4-2)11-14-12-8-9-12/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(2-pentoxypentyl)cyclopropanamine?
N-(2-pentoxypentyl)cyclopropanamine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pentoxypentyl)cyclopropanamine is sourced from PubChem (CID 83045907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).