N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine

C16H33NO — CID 62457946

IUPACN-[5-(2-ethylhexoxy)pentyl]cyclopropanamine
SMILESCCCCC(CC)COCCCCCNC1CC1
InChIInChI=1S/C16H33NO/c1-3-5-9-15(4-2)14-18-13-8-6-7-12-17-16-10-11-16/h15-17H,3-14H2,1-2H3
InChIKeyIECWUNPZLYCMTH-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds13

About N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine

N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine (PubChem CID 62457946) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(2-ethylhexoxy)pentyl]cyclopropanamine
PubChem CID62457946
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[5-(2-ethylhexoxy)pentyl]cyclopropanamine
SMILESCCCCC(CC)COCCCCCNC1CC1
InChIInChI=1S/C16H33NO/c1-3-5-9-15(4-2)14-18-13-8-6-7-12-17-16-10-11-16/h15-17H,3-14H2,1-2H3
InChIKeyIECWUNPZLYCMTH-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.14
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

1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine
CID 55092912
8-(2-ethylhexoxy)octan-1-amine
CID 87537137
N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626833
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
N-[4-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445498
N-[4-(2-propoxyethoxy)butyl]cyclopropanamine
CID 63686428
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
6-(2-ethylhexoxy)-N-propylhexan-2-amine
CID 63475972
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid
CID 55144725

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine (CID 62457946) is N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine is CCCCC(CC)COCCCCCNC1CC1.
What is the InChIKey of N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine?
The InChIKey is IECWUNPZLYCMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-5-9-15(4-2)14-18-13-8-6-7-12-17-16-10-11-16/h15-17H,3-14H2,1-2H3.
What are the key properties of N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine?
N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 62457946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).