N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine

C13H25NO2 — CID 62486502

IUPACN-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine
SMILESCC(CCCNC1CC1)OCC1CCOC1
InChIInChI=1S/C13H25NO2/c1-11(3-2-7-14-13-4-5-13)16-10-12-6-8-15-9-12/h11-14H,2-10H2,1H3
InChIKeyDFRJLTCRTKGVJZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds8

About N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine

N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine (PubChem CID 62486502) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine
PubChem CID62486502
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine
SMILESCC(CCCNC1CC1)OCC1CCOC1
InChIInChI=1S/C13H25NO2/c1-11(3-2-7-14-13-4-5-13)16-10-12-6-8-15-9-12/h11-14H,2-10H2,1H3
InChIKeyDFRJLTCRTKGVJZ-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
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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Related Compounds

3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine
CID 114999123
N-[3-methyl-2-(oxolan-3-ylmethoxy)butyl]cyclopropanamine
CID 62485595
N-[3-(oxolan-3-yl)propyl]cyclopropanamine
CID 64504217
N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
CID 103228592
N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine
CID 62440729
N-(4-hexoxypentyl)cyclopropanamine
CID 62455519
N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine
CID 62111242
2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine
CID 62598671
methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate
CID 64708577
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
2-methyl-5-(oxolan-3-ylamino)pentan-1-ol
CID 103859420
2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55092213

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine (CID 62486502) is N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine is CC(CCCNC1CC1)OCC1CCOC1.
What is the InChIKey of N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine?
The InChIKey is DFRJLTCRTKGVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(3-2-7-14-13-4-5-13)16-10-12-6-8-15-9-12/h11-14H,2-10H2,1H3.
What are the key properties of N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine?
N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 62486502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).