6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol

C20H36N2O — CID 22104021

IUPAC6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol
SMILESCC(C)N(CCCCCCO)CCCCNCc1ccccc1
InChIInChI=1S/C20H36N2O/c1-19(2)22(15-9-3-4-11-17-23)16-10-8-14-21-18-20-12-6-5-7-13-20/h5-7,12-13,19,21,23H,3-4,8-11,14-18H2,1-2H3
InChIKeyTZIKAUALAJVBIZ-UHFFFAOYSA-N
MW320.52 g/mol
LogP3.82
Rot. Bonds14

About 6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol

6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol (PubChem CID 22104021) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is 6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol
PubChem CID22104021
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC Name6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol
SMILESCC(C)N(CCCCCCO)CCCCNCc1ccccc1
InChIInChI=1S/C20H36N2O/c1-19(2)22(15-9-3-4-11-17-23)16-10-8-14-21-18-20-12-6-5-7-13-20/h5-7,12-13,19,21,23H,3-4,8-11,14-18H2,1-2H3
InChIKeyTZIKAUALAJVBIZ-UHFFFAOYSA-N
XLogP3.82
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 53.82
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 6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol?
The IUPAC name of 6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol (CID 22104021) is 6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol.
What is the SMILES notation for 6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol?
The canonical SMILES for 6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol is CC(C)N(CCCCCCO)CCCCNCc1ccccc1.
What is the InChIKey of 6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol?
The InChIKey is TZIKAUALAJVBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O/c1-19(2)22(15-9-3-4-11-17-23)16-10-8-14-21-18-20-12-6-5-7-13-20/h5-7,12-13,19,21,23H,3-4,8-11,14-18H2,1-2H3.
What are the key properties of 6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol?
6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol has a molecular weight of 320.52 g/mol, XLogP of 3.82, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(benzylamino)butyl-propan-2-ylamino]hexan-1-ol is sourced from PubChem (CID 22104021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).