1,4-diamino-3,3-dimethylbutan-1-ol

C6H16N2O — CID 123765615

IUPAC1,4-diamino-3,3-dimethylbutan-1-ol
SMILESCC(C)(CN)CC(N)O
InChIInChI=1S/C6H16N2O/c1-6(2,4-7)3-5(8)9/h5,9H,3-4,7-8H2,1-2H3
InChIKeyUWYDLAYDGFXLLE-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.36
Rot. Bonds3

About 1,4-diamino-3,3-dimethylbutan-1-ol

1,4-diamino-3,3-dimethylbutan-1-ol (PubChem CID 123765615) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 1,4-diamino-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1,4-diamino-3,3-dimethylbutan-1-ol
PubChem CID123765615
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name1,4-diamino-3,3-dimethylbutan-1-ol
SMILESCC(C)(CN)CC(N)O
InChIInChI=1S/C6H16N2O/c1-6(2,4-7)3-5(8)9/h5,9H,3-4,7-8H2,1-2H3
InChIKeyUWYDLAYDGFXLLE-UHFFFAOYSA-N
XLogP-0.36
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-diamino-2-(aminomethyl)-2-methylpropan-1-ol;hydrate
CID 139628665
1-amino-3-methylbutane-1,3-diol;hydrochloride
CID 140998163
2,2-dimethylpropane-1,3-diamine
CID 162099967
2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
CID 87393297
4-ethyl-2,2-dimethylhexan-1-amine
CID 82930453
1-(4-chlorophenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934580
1,6-diamino-4,4-dimethylhexan-2-ol;2,2,4-trimethylhexane-1,6-diamine
CID 159476116
4-amino-3,3-dimethylbutan-1-ol
CID 55290156
3,3-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116934629
4-dimethylsilyl-2,2-dimethylbutan-1-amine
CID 150831427
1-amino-4,4-dimethylpentan-1-ol
CID 88636806
2,2,4,4-tetramethylpentane-1,3,5-triamine
CID 88802410

Frequently Asked Questions

What is the IUPAC name of 1,4-diamino-3,3-dimethylbutan-1-ol?
The IUPAC name of 1,4-diamino-3,3-dimethylbutan-1-ol (CID 123765615) is 1,4-diamino-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1,4-diamino-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1,4-diamino-3,3-dimethylbutan-1-ol is CC(C)(CN)CC(N)O.
What is the InChIKey of 1,4-diamino-3,3-dimethylbutan-1-ol?
The InChIKey is UWYDLAYDGFXLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-6(2,4-7)3-5(8)9/h5,9H,3-4,7-8H2,1-2H3.
What are the key properties of 1,4-diamino-3,3-dimethylbutan-1-ol?
1,4-diamino-3,3-dimethylbutan-1-ol has a molecular weight of 132.21 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diamino-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 123765615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).