2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine

C15H40N4O — CID 143703207

IUPAC2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine
SMILESCC.CCCN(CCN)CCO.CNC(C)NC(C)C
InChIInChI=1S/C7H18N2O.C6H16N2.C2H6/c1-2-4-9(5-3-8)6-7-10;1-5(2)8-6(3)7-4;1-2/h10H,2-8H2,1H3;5-8H,1-4H3;1-2H3
InChIKeyJYRMBXMGXSJQIF-UHFFFAOYSA-N
MW292.51 g/mol
LogP1.23
Rot. Bonds9

About 2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine

2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine (PubChem CID 143703207) has the molecular formula C15H40N4O and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine.

Molecular Properties

Compound Name2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine
PubChem CID143703207
Molecular FormulaC15H40N4O
Molecular Weight292.51 g/mol
Exact Mass292.32
IUPAC Name2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine
SMILESCC.CCCN(CCN)CCO.CNC(C)NC(C)C
InChIInChI=1S/C7H18N2O.C6H16N2.C2H6/c1-2-4-9(5-3-8)6-7-10;1-5(2)8-6(3)7-4;1-2/h10H,2-8H2,1H3;5-8H,1-4H3;1-2H3
InChIKeyJYRMBXMGXSJQIF-UHFFFAOYSA-N
XLogP1.23
TPSA73.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 143379141
2-[2-chloroethyl(propyl)amino]ethanol
CID 61425253
2-[bis(2-hydroxyethyl)amino]ethanol;ethanamine
CID 160554975
CID 172703845
CID 172703845
2-[4-aminopentyl(propyl)amino]ethanol
CID 45357637
acetic acid;2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol
CID 88745312
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine
CID 163255552
2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane
CID 90906484
2-[3-fluoropropyl(propyl)amino]ethanol
CID 81113201
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride
CID 173448711
acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol
CID 173116618

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine?
The IUPAC name of 2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine (CID 143703207) is 2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine.
What is the SMILES notation for 2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine?
The canonical SMILES for 2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine is CC.CCCN(CCN)CCO.CNC(C)NC(C)C.
What is the InChIKey of 2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine?
The InChIKey is JYRMBXMGXSJQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O.C6H16N2.C2H6/c1-2-4-9(5-3-8)6-7-10;1-5(2)8-6(3)7-4;1-2/h10H,2-8H2,1H3;5-8H,1-4H3;1-2H3.
What are the key properties of 2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine?
2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine has a molecular weight of 292.51 g/mol, XLogP of 1.23, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(propyl)amino]ethanol;ethane;1-N-methyl-1-N'-propan-2-ylethane-1,1-diamine is sourced from PubChem (CID 143703207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).