4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol

C11H26N2O — CID 62008969

IUPAC4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
SMILESCCN(CCCCO)C(C)(CC)CN
InChIInChI=1S/C11H26N2O/c1-4-11(3,10-12)13(5-2)8-6-7-9-14/h14H,4-10,12H2,1-3H3
InChIKeyYSINWCCCRJXTKV-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.21
Rot. Bonds8

About 4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol

4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol (PubChem CID 62008969) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
PubChem CID62008969
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
SMILESCCN(CCCCO)C(C)(CC)CN
InChIInChI=1S/C11H26N2O/c1-4-11(3,10-12)13(5-2)8-6-7-9-14/h14H,4-10,12H2,1-3H3
InChIKeyYSINWCCCRJXTKV-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.21
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

3-[tert-butyl(ethyl)amino]propan-1-ol
CID 138079476
2-N,2-diethyl-2-N-pentylbutane-1,2-diamine
CID 62008795
2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 107911291
2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine
CID 114524991
2-[(1-amino-2-methylpropan-2-yl)-ethylamino]ethanol
CID 28759304
2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine
CID 62009172
6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol
CID 170022391
2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine
CID 62007992
N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine
CID 154429867
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol
CID 62008603
2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 62009981

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol?
The IUPAC name of 4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol (CID 62008969) is 4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol.
What is the SMILES notation for 4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol?
The canonical SMILES for 4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol is CCN(CCCCO)C(C)(CC)CN.
What is the InChIKey of 4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol?
The InChIKey is YSINWCCCRJXTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-4-11(3,10-12)13(5-2)8-6-7-9-14/h14H,4-10,12H2,1-3H3.
What are the key properties of 4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol?
4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol is sourced from PubChem (CID 62008969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).