6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol

C18H27NO — CID 88541635

IUPAC6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol
SMILESOCCCCCCN(CC1C=CC=C1)CC1C=CC=C1
InChIInChI=1S/C18H27NO/c20-14-8-2-1-7-13-19(15-17-9-3-4-10-17)16-18-11-5-6-12-18/h3-6,9-12,17-18,20H,1-2,7-8,13-16H2
InChIKeyDGEYDBHLLGSXTF-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.33
Rot. Bonds10

About 6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol

6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol (PubChem CID 88541635) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol
PubChem CID88541635
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol
SMILESOCCCCCCN(CC1C=CC=C1)CC1C=CC=C1
InChIInChI=1S/C18H27NO/c20-14-8-2-1-7-13-19(15-17-9-3-4-10-17)16-18-11-5-6-12-18/h3-6,9-12,17-18,20H,1-2,7-8,13-16H2
InChIKeyDGEYDBHLLGSXTF-UHFFFAOYSA-N
XLogP3.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol?
The IUPAC name of 6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol (CID 88541635) is 6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol?
The canonical SMILES for 6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol is OCCCCCCN(CC1C=CC=C1)CC1C=CC=C1.
What is the InChIKey of 6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol?
The InChIKey is DGEYDBHLLGSXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c20-14-8-2-1-7-13-19(15-17-9-3-4-10-17)16-18-11-5-6-12-18/h3-6,9-12,17-18,20H,1-2,7-8,13-16H2.
What are the key properties of 6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol?
6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol is sourced from PubChem (CID 88541635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).