5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol

C16H34N2O2 — CID 91384509

IUPAC5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol
SMILESC=C(O)NC(C)CC(C)CC(O)NC(C)CC(C)CC
InChIInChI=1S/C16H34N2O2/c1-7-11(2)8-14(5)18-16(20)10-12(3)9-13(4)17-15(6)19/h11-14,16-20H,6-10H2,1-5H3
InChIKeyNIEFUXLBJFBADY-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.14
Rot. Bonds11

About 5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol

5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol (PubChem CID 91384509) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol
PubChem CID91384509
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol
SMILESC=C(O)NC(C)CC(C)CC(O)NC(C)CC(C)CC
InChIInChI=1S/C16H34N2O2/c1-7-11(2)8-14(5)18-16(20)10-12(3)9-13(4)17-15(6)19/h11-14,16-20H,6-10H2,1-5H3
InChIKeyNIEFUXLBJFBADY-UHFFFAOYSA-N
XLogP3.14
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol?
The IUPAC name of 5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol (CID 91384509) is 5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol?
The canonical SMILES for 5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol is C=C(O)NC(C)CC(C)CC(O)NC(C)CC(C)CC.
What is the InChIKey of 5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol?
The InChIKey is NIEFUXLBJFBADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-7-11(2)8-14(5)18-16(20)10-12(3)9-13(4)17-15(6)19/h11-14,16-20H,6-10H2,1-5H3.
What are the key properties of 5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol?
5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 3.14, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 91384509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).