4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol

C11H26N2O — CID 107445803

IUPAC4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCCNC(C)(C)C
InChIInChI=1S/C11H26N2O/c1-10(5-8-14)9-12-6-7-13-11(2,3)4/h10,12-14H,5-9H2,1-4H3
InChIKeyOSSYETZVPKRCRP-UHFFFAOYSA-N
MW202.34 g/mol
LogP0.98
Rot. Bonds7

About 4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol

4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol (PubChem CID 107445803) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol
PubChem CID107445803
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCCNC(C)(C)C
InChIInChI=1S/C11H26N2O/c1-10(5-8-14)9-12-6-7-13-11(2,3)4/h10,12-14H,5-9H2,1-4H3
InChIKeyOSSYETZVPKRCRP-UHFFFAOYSA-N
XLogP0.98
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol
CID 66092499
4-(2,2-dimethylpropylamino)-3-methylbutan-1-ol
CID 66091312
3-[2-(tert-butylamino)ethylamino]butan-1-ol
CID 107446029
3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol
CID 106348698
4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol
CID 66107039
3-methyl-4-(2-propan-2-yloxyethylamino)butan-1-ol
CID 66109201
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 104644680
tert-butyl N-tert-butyl-N-[2-[(4-hydroxy-2-methylbutyl)amino]ethyl]carbamate
CID 107445802
4-(2-butoxyethylamino)-3-methylbutan-1-ol
CID 66108115
N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide
CID 66091624
4-(2,2-dimethoxyethylamino)-3-methylbutan-1-ol
CID 66089423

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol (CID 107445803) is 4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol is CC(CCO)CNCCNC(C)(C)C.
What is the InChIKey of 4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol?
The InChIKey is OSSYETZVPKRCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(5-8-14)9-12-6-7-13-11(2,3)4/h10,12-14H,5-9H2,1-4H3.
What are the key properties of 4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol?
4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 107445803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).