2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol

C15H32N2O — CID 62261295

IUPAC2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol
SMILESCCCNCC1(CN(CCC)CCO)CCCC1
InChIInChI=1S/C15H32N2O/c1-3-9-16-13-15(7-5-6-8-15)14-17(10-4-2)11-12-18/h16,18H,3-14H2,1-2H3
InChIKeyWVVCSYGSQCMQOU-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds10

About 2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol

2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol (PubChem CID 62261295) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol
PubChem CID62261295
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol
SMILESCCCNCC1(CN(CCC)CCO)CCCC1
InChIInChI=1S/C15H32N2O/c1-3-9-16-13-15(7-5-6-8-15)14-17(10-4-2)11-12-18/h16,18H,3-14H2,1-2H3
InChIKeyWVVCSYGSQCMQOU-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 55194825
2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62272082
2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62255853
N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256205
1-[[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953493
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine
CID 62260720
2-[[1-(bromomethyl)cyclobutyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 65009843
2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075
2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol
CID 62392546
2-[1-[(dipropylamino)methyl]cyclopropyl]ethanol
CID 114757429
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol?
The IUPAC name of 2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol (CID 62261295) is 2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol?
The canonical SMILES for 2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol is CCCNCC1(CN(CCC)CCO)CCCC1.
What is the InChIKey of 2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol?
The InChIKey is WVVCSYGSQCMQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-3-9-16-13-15(7-5-6-8-15)14-17(10-4-2)11-12-18/h16,18H,3-14H2,1-2H3.
What are the key properties of 2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol?
2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol is sourced from PubChem (CID 62261295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).