4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine

C11H29N3O — CID 175505352

IUPAC4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine
SMILESCC(CN(C)C)N(C)C.NCCCCO
InChIInChI=1S/C7H18N2.C4H11NO/c1-7(9(4)5)6-8(2)3;5-3-1-2-4-6/h7H,6H2,1-5H3;6H,1-5H2
InChIKeyULWPLSBIMOFKMV-UHFFFAOYSA-N
MW219.37 g/mol
LogP0.22
Rot. Bonds6

About 4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine

4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine (PubChem CID 175505352) has the molecular formula C11H29N3O and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine.

Molecular Properties

Compound Name4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine
PubChem CID175505352
Molecular FormulaC11H29N3O
Molecular Weight219.37 g/mol
Exact Mass219.23
IUPAC Name4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine
SMILESCC(CN(C)C)N(C)C.NCCCCO
InChIInChI=1S/C7H18N2.C4H11NO/c1-7(9(4)5)6-8(2)3;5-3-1-2-4-6/h7H,6H2,1-5H3;6H,1-5H2
InChIKeyULWPLSBIMOFKMV-UHFFFAOYSA-N
XLogP0.22
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 103187905
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CID 174295610
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CID 174810904
6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
CID 112745824
2-[2-(dimethylamino)propyl-(2-hydroxyethyl)amino]ethanol
CID 87217560
2-aminoethanol;butan-1-ol
CID 23216731
3-aminopropan-1-ol;ethane
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ethanol;octane-1,8-diamine
CID 159247635

Frequently Asked Questions

What is the IUPAC name of 4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine?
The IUPAC name of 4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine (CID 175505352) is 4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine.
What is the SMILES notation for 4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine?
The canonical SMILES for 4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine is CC(CN(C)C)N(C)C.NCCCCO.
What is the InChIKey of 4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine?
The InChIKey is ULWPLSBIMOFKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2.C4H11NO/c1-7(9(4)5)6-8(2)3;5-3-1-2-4-6/h7H,6H2,1-5H3;6H,1-5H2.
What are the key properties of 4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine?
4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine has a molecular weight of 219.37 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine is sourced from PubChem (CID 175505352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).