2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol

C9H20N2O — CID 149151318

IUPAC2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol
SMILESCN(CCCNCCO)C1CC1
InChIInChI=1S/C9H20N2O/c1-11(9-3-4-9)7-2-5-10-6-8-12/h9-10,12H,2-8H2,1H3
InChIKeyQPVHRHIGYIWSPC-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds7

About 2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol

2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol (PubChem CID 149151318) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol
PubChem CID149151318
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol
SMILESCN(CCCNCCO)C1CC1
InChIInChI=1S/C9H20N2O/c1-11(9-3-4-9)7-2-5-10-6-8-12/h9-10,12H,2-8H2,1H3
InChIKeyQPVHRHIGYIWSPC-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
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

1,3-Bis((1-methylethyl)amino)propan-2-ol
CID 273840
N-(2-hydroxyethyl)-N-methyl-1,3-propanediamine
CID 11434970
2-(Cyclopropylamino)ethan-1-ol
CID 19100566
2-(Cyclopropylamino)propan-1-ol
CID 61055214
2-[3-[1-(Hydroxymethyl)propylamino]propylamino]butan-1-ol
CID 469926
2,2'-({3-[(2-Hydroxyethyl)amino]propyl}azanediyl)di(ethan-1-ol)
CID 54173789
1-Oxa-4,8-diazadecane
CID 88586065
2-[[3-(Dimethylamino)propyl]amino]ethanol
CID 104470
2-[Bis(3-aminopropyl)amino]ethanol
CID 19359070
(2S)-1-[3-(dimethylamino)propylamino]propan-2-ol
CID 28380769
(2-Hydroxyethyl)diisopropylammonium chloride
CID 139056653
2-((3-(Dimethylamino)-2,2-dimethylpropyl)amino)ethanol
CID 3020016

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol?
The IUPAC name of 2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol (CID 149151318) is 2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol.
What is the SMILES notation for 2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol?
The canonical SMILES for 2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol is CN(CCCNCCO)C1CC1.
What is the InChIKey of 2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol?
The InChIKey is QPVHRHIGYIWSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11(9-3-4-9)7-2-5-10-6-8-12/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol?
2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopropyl(methyl)amino]propylamino]ethanol is sourced from PubChem (CID 149151318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).