[[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol

C11H26N2O — CID 142399787

IUPAC[[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol
SMILESCC(C)NCCCCC(C)(C)NCO
InChIInChI=1S/C11H26N2O/c1-10(2)12-8-6-5-7-11(3,4)13-9-14/h10,12-14H,5-9H2,1-4H3
InChIKeyTXWMSSYGFVIANR-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.47
Rot. Bonds8

About [[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol

[[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol (PubChem CID 142399787) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is [[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol.

Molecular Properties

Compound Name[[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol
PubChem CID142399787
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name[[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol
SMILESCC(C)NCCCCC(C)(C)NCO
InChIInChI=1S/C11H26N2O/c1-10(2)12-8-6-5-7-11(3,4)13-9-14/h10,12-14H,5-9H2,1-4H3
InChIKeyTXWMSSYGFVIANR-UHFFFAOYSA-N
XLogP1.47
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol?
The IUPAC name of [[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol (CID 142399787) is [[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol.
What is the SMILES notation for [[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol?
The canonical SMILES for [[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol is CC(C)NCCCCC(C)(C)NCO.
What is the InChIKey of [[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol?
The InChIKey is TXWMSSYGFVIANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(2)12-8-6-5-7-11(3,4)13-9-14/h10,12-14H,5-9H2,1-4H3.
What are the key properties of [[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol?
[[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol has a molecular weight of 202.34 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol is sourced from PubChem (CID 142399787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).