4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol

C11H26N2O — CID 106841291

IUPAC4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol
SMILESCC(C)(C)CC(CN)NCCCCO
InChIInChI=1S/C11H26N2O/c1-11(2,3)8-10(9-12)13-6-4-5-7-14/h10,13-14H,4-9,12H2,1-3H3
InChIKeyQAFIHVXSLGVZBA-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.11
Rot. Bonds7

About 4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol

4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol (PubChem CID 106841291) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol
PubChem CID106841291
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol
SMILESCC(C)(C)CC(CN)NCCCCO
InChIInChI=1S/C11H26N2O/c1-11(2,3)8-10(9-12)13-6-4-5-7-14/h10,13-14H,4-9,12H2,1-3H3
InChIKeyQAFIHVXSLGVZBA-UHFFFAOYSA-N
XLogP1.11
TPSA58.28 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 ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol?
The IUPAC name of 4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol (CID 106841291) is 4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol is CC(C)(C)CC(CN)NCCCCO.
What is the InChIKey of 4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol?
The InChIKey is QAFIHVXSLGVZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-11(2,3)8-10(9-12)13-6-4-5-7-14/h10,13-14H,4-9,12H2,1-3H3.
What are the key properties of 4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol?
4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol is sourced from PubChem (CID 106841291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).