2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol

C14H32N2O — CID 79471006

IUPAC2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol
SMILESCCC(C)CN(CC)CCCCC(C)(N)CO
InChIInChI=1S/C14H32N2O/c1-5-13(3)11-16(6-2)10-8-7-9-14(4,15)12-17/h13,17H,5-12,15H2,1-4H3
InChIKeyLHWUANRCZVNISE-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.23
Rot. Bonds10

About 2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol

2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol (PubChem CID 79471006) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol
PubChem CID79471006
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol
SMILESCCC(C)CN(CC)CCCCC(C)(N)CO
InChIInChI=1S/C14H32N2O/c1-5-13(3)11-16(6-2)10-8-7-9-14(4,15)12-17/h13,17H,5-12,15H2,1-4H3
InChIKeyLHWUANRCZVNISE-UHFFFAOYSA-N
XLogP2.23
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol (CID 79471006) is 2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol is CCC(C)CN(CC)CCCCC(C)(N)CO.
What is the InChIKey of 2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol?
The InChIKey is LHWUANRCZVNISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-5-13(3)11-16(6-2)10-8-7-9-14(4,15)12-17/h13,17H,5-12,15H2,1-4H3.
What are the key properties of 2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol?
2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol has a molecular weight of 244.42 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol is sourced from PubChem (CID 79471006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).