N-[4-(2-propoxyethoxy)butyl]cyclopropanamine

C12H25NO2 — CID 63686428

IUPACN-[4-(2-propoxyethoxy)butyl]cyclopropanamine
SMILESCCCOCCOCCCCNC1CC1
InChIInChI=1S/C12H25NO2/c1-2-8-14-10-11-15-9-4-3-7-13-12-5-6-12/h12-13H,2-11H2,1H3
InChIKeySZIUPEOAVKDCJY-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds11

About N-[4-(2-propoxyethoxy)butyl]cyclopropanamine

N-[4-(2-propoxyethoxy)butyl]cyclopropanamine (PubChem CID 63686428) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[4-(2-propoxyethoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2-propoxyethoxy)butyl]cyclopropanamine
PubChem CID63686428
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[4-(2-propoxyethoxy)butyl]cyclopropanamine
SMILESCCCOCCOCCCCNC1CC1
InChIInChI=1S/C12H25NO2/c1-2-8-14-10-11-15-9-4-3-7-13-12-5-6-12/h12-13H,2-11H2,1H3
InChIKeySZIUPEOAVKDCJY-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
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

N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-[3-(2-ethoxyethoxy)propyl]cyclopropanamine
CID 62445452
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
4-(3-butoxypropylamino)cyclohexan-1-ol
CID 106595163
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
CID 55195526
N-[4-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445498
N-(4-ethoxybutyl)cycloheptanamine
CID 112730026
N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
CID 155331327
N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112587431
N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine
CID 82959515
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-propoxyethoxy)butyl]cyclopropanamine?
The IUPAC name of N-[4-(2-propoxyethoxy)butyl]cyclopropanamine (CID 63686428) is N-[4-(2-propoxyethoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2-propoxyethoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(2-propoxyethoxy)butyl]cyclopropanamine is CCCOCCOCCCCNC1CC1.
What is the InChIKey of N-[4-(2-propoxyethoxy)butyl]cyclopropanamine?
The InChIKey is SZIUPEOAVKDCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-8-14-10-11-15-9-4-3-7-13-12-5-6-12/h12-13H,2-11H2,1H3.
What are the key properties of N-[4-(2-propoxyethoxy)butyl]cyclopropanamine?
N-[4-(2-propoxyethoxy)butyl]cyclopropanamine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-propoxyethoxy)butyl]cyclopropanamine is sourced from PubChem (CID 63686428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).