2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol

C14H30N2O — CID 62260812

IUPAC2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol
SMILESCCC(CC)(CN)CN(CCO)C1CCCC1
InChIInChI=1S/C14H30N2O/c1-3-14(4-2,11-15)12-16(9-10-17)13-7-5-6-8-13/h13,17H,3-12,15H2,1-2H3
InChIKeyAPNAVGOCZBMEIP-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.99
Rot. Bonds8

About 2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol

2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol (PubChem CID 62260812) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol
PubChem CID62260812
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol
SMILESCCC(CC)(CN)CN(CCO)C1CCCC1
InChIInChI=1S/C14H30N2O/c1-3-14(4-2,11-15)12-16(9-10-17)13-7-5-6-8-13/h13,17H,3-12,15H2,1-2H3
InChIKeyAPNAVGOCZBMEIP-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal
CID 62275681
3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol
CID 102870774
2-[cyclopentyl-[3-(ethylamino)-2,2-dimethylpropyl]amino]ethanol
CID 62261165
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylpentan-1-ol
CID 62265116
2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol
CID 102871030
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol
CID 102676970
2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol
CID 106708020
2-[cyclobutyl-[2-(ethylaminomethyl)-2-methylbutyl]amino]ethanol
CID 102870942
2-[cyclopentyl(2-methylpentyl)amino]ethanol
CID 62266267
2-(aminomethyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbutanamide
CID 102861281
2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol
CID 66452348

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol (CID 62260812) is 2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol is CCC(CC)(CN)CN(CCO)C1CCCC1.
What is the InChIKey of 2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol?
The InChIKey is APNAVGOCZBMEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-14(4-2,11-15)12-16(9-10-17)13-7-5-6-8-13/h13,17H,3-12,15H2,1-2H3.
What are the key properties of 2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol?
2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol has a molecular weight of 242.41 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol is sourced from PubChem (CID 62260812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).