1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol

C14H32N2O2 — CID 163917185

IUPAC1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol
SMILESCCCC(C)(CC)CC(O)CNCCOCCN
InChIInChI=1S/C14H32N2O2/c1-4-6-14(3,5-2)11-13(17)12-16-8-10-18-9-7-15/h13,16-17H,4-12,15H2,1-3H3
InChIKeyQXGWTNSSKVQBOK-UHFFFAOYSA-N
MW260.42 g/mol
LogP1.52
Rot. Bonds12

About 1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol

1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol (PubChem CID 163917185) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol
PubChem CID163917185
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Name1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol
SMILESCCCC(C)(CC)CC(O)CNCCOCCN
InChIInChI=1S/C14H32N2O2/c1-4-6-14(3,5-2)11-13(17)12-16-8-10-18-9-7-15/h13,16-17H,4-12,15H2,1-3H3
InChIKeyQXGWTNSSKVQBOK-UHFFFAOYSA-N
XLogP1.52
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-Aminoethoxy)ethoxy]ethylamino]-3-methylpentadecan-2-ol
CID 58527636
(2R)-1-(2,2-dimethylpropylamino)-6,6-dimethylheptan-2-ol
CID 89747828
(2S)-1-(2,2-dimethylpropylamino)-6,6-dimethylheptan-2-ol
CID 89747829
3-Methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tridecan-2-ol
CID 118243056
3-Methyl-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]pentadecan-2-ol
CID 118243057
3-Ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol
CID 123990768
(1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol
CID 149384579
1-[[(3R)-6-methoxy-3,6-dimethylheptyl]amino]butan-2-ol
CID 163543191
1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol
CID 166937991
4-Ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol
CID 167006583
6-Methyl-2-propyl-1-(2-undecan-4-yloxyethylamino)nonan-1-ol
CID 169677130
3-butyl-N-ethyl-3-methyl-2-propoxyheptan-1-amine
CID 169692441

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol?
The IUPAC name of 1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol (CID 163917185) is 1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol is CCCC(C)(CC)CC(O)CNCCOCCN.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol?
The InChIKey is QXGWTNSSKVQBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-4-6-14(3,5-2)11-13(17)12-16-8-10-18-9-7-15/h13,16-17H,4-12,15H2,1-3H3.
What are the key properties of 1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol?
1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol has a molecular weight of 260.42 g/mol, XLogP of 1.52, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol is sourced from PubChem (CID 163917185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).