2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol

C14H28N2O — CID 102870978

IUPAC2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol
SMILESNC1CCCCCC1CN(CCO)C1CCC1
InChIInChI=1S/C14H28N2O/c15-14-8-3-1-2-5-12(14)11-16(9-10-17)13-6-4-7-13/h12-14,17H,1-11,15H2
InChIKeyQZPZSCKIBDGOME-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.74
Rot. Bonds5

About 2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol

2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol (PubChem CID 102870978) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol
PubChem CID102870978
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol
SMILESNC1CCCCCC1CN(CCO)C1CCC1
InChIInChI=1S/C14H28N2O/c15-14-8-3-1-2-5-12(14)11-16(9-10-17)13-6-4-7-13/h12-14,17H,1-11,15H2
InChIKeyQZPZSCKIBDGOME-UHFFFAOYSA-N
XLogP1.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclohexyl(ethyl)amino]methyl]cyclohexan-1-amine
CID 55093825
2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol
CID 62707763
2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol
CID 62608943
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol
CID 62610274
2-[cyclopropyl-[(2-methylcyclohexyl)methyl]amino]ethanol
CID 104517048
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[cyclobutyl-[[2-(methylamino)cyclohexyl]methyl]amino]ethanol
CID 102870950
2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol
CID 102870921
2-[cyclobutyl-[[2-(ethylamino)cyclohexyl]methyl]amino]ethanol
CID 102871036
2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine
CID 62614703
2-[cyclohexyl-[[4-(methylamino)oxan-3-yl]methyl]amino]ethanol
CID 103059443
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62708698

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol?
The IUPAC name of 2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol (CID 102870978) is 2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol is NC1CCCCCC1CN(CCO)C1CCC1.
What is the InChIKey of 2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol?
The InChIKey is QZPZSCKIBDGOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c15-14-8-3-1-2-5-12(14)11-16(9-10-17)13-6-4-7-13/h12-14,17H,1-11,15H2.
What are the key properties of 2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol?
2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol has a molecular weight of 240.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol is sourced from PubChem (CID 102870978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).