4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol

C10H24N2O2 — CID 175602492

IUPAC4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol
SMILESCC(CO)CCNC(O)C(C)CCN
InChIInChI=1S/C10H24N2O2/c1-8(7-13)4-6-12-10(14)9(2)3-5-11/h8-10,12-14H,3-7,11H2,1-2H3
InChIKeyNFZBOFQNXLPUDT-UHFFFAOYSA-N
MW204.31 g/mol
LogP-0.10
Rot. Bonds8

About 4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol

4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol (PubChem CID 175602492) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol
PubChem CID175602492
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol
SMILESCC(CO)CCNC(O)C(C)CCN
InChIInChI=1S/C10H24N2O2/c1-8(7-13)4-6-12-10(14)9(2)3-5-11/h8-10,12-14H,3-7,11H2,1-2H3
InChIKeyNFZBOFQNXLPUDT-UHFFFAOYSA-N
XLogP-0.10
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol?
The IUPAC name of 4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol (CID 175602492) is 4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol is CC(CO)CCNC(O)C(C)CCN.
What is the InChIKey of 4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol?
The InChIKey is NFZBOFQNXLPUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-8(7-13)4-6-12-10(14)9(2)3-5-11/h8-10,12-14H,3-7,11H2,1-2H3.
What are the key properties of 4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol?
4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol has a molecular weight of 204.31 g/mol, XLogP of -0.10, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 175602492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).