2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol

C10H24N2O2 — CID 106187247

IUPAC2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NCCNC(C)(C)C
InChIInChI=1S/C10H24N2O2/c1-10(2,3)12-6-5-11-9(7-13)8-14-4/h9,11-13H,5-8H2,1-4H3
InChIKeyZNQKNOKZXSNDGO-UHFFFAOYSA-N
MW204.31 g/mol
LogP-0.03
Rot. Bonds7

About 2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol

2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol (PubChem CID 106187247) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol
PubChem CID106187247
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NCCNC(C)(C)C
InChIInChI=1S/C10H24N2O2/c1-10(2,3)12-6-5-11-9(7-13)8-14-4/h9,11-13H,5-8H2,1-4H3
InChIKeyZNQKNOKZXSNDGO-UHFFFAOYSA-N
XLogP-0.03
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 5-0.03
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

2-(3-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190319
3-methoxy-2-(nonylamino)propan-1-ol
CID 106190641
2-(decylamino)-3-methoxypropan-1-ol
CID 114155671
2-(2-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190268
3-methoxy-2-(2-pyrrolidin-1-ylethylamino)propan-1-ol
CID 106190805
3-(3,3-dimethylbutoxy)-2-(propylamino)propan-1-ol
CID 66227333
(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 130685651
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol
CID 106190608
3-[2-(tert-butylamino)ethylamino]butan-1-ol
CID 107446029
N-cyclopropyl-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanamide
CID 106190509
2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol
CID 103033211

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol (CID 106187247) is 2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol is COCC(CO)NCCNC(C)(C)C.
What is the InChIKey of 2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol?
The InChIKey is ZNQKNOKZXSNDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-10(2,3)12-6-5-11-9(7-13)8-14-4/h9,11-13H,5-8H2,1-4H3.
What are the key properties of 2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol?
2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol has a molecular weight of 204.31 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106187247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).