5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol

C17H21NO — CID 177390448

IUPAC5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol
SMILESOCCCCCN(CC1=C=CC=C1)CC1=C=CC=C1
InChIInChI=1S/C17H21NO/c19-13-7-1-6-12-18(14-16-8-2-3-9-16)15-17-10-4-5-11-17/h2-5,8,10,19H,1,6-7,12-15H2
InChIKeyUHLFMZWTDXJATE-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.75
Rot. Bonds9

About 5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol

5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol (PubChem CID 177390448) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol
PubChem CID177390448
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol
SMILESOCCCCCN(CC1=C=CC=C1)CC1=C=CC=C1
InChIInChI=1S/C17H21NO/c19-13-7-1-6-12-18(14-16-8-2-3-9-16)15-17-10-4-5-11-17/h2-5,8,10,19H,1,6-7,12-15H2
InChIKeyUHLFMZWTDXJATE-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.75
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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Related Compounds

6-[Cyclopenta-1,3-dien-1-ylmethyl(cyclopenta-1,4-dien-1-ylmethyl)amino]hexan-1-ol
CID 68018950
6-[Bis(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol
CID 88541635
6-[Cyclopenta-1,4-dien-1-ylmethyl(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol
CID 89976791
6-[Cyclopenta-1,3-dien-1-ylmethyl(cyclopenta-2,4-dien-1-ylmethyl)amino]hexan-1-ol
CID 89976792
6-[[(1S)-2-methylcyclopenta-2,4-dien-1-yl]methyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]amino]hexan-1-ol
CID 89976804
6-[Bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol
CID 89976807
2-[1-(6-Methylhepta-1,3,4,6-tetraen-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]ethanol
CID 91138051
6-[(2-Methylcyclopenta-1,3-dien-1-yl)methyl-[(5-methylcyclopenta-1,3-dien-1-yl)methyl]amino]hexan-1-ol
CID 117670548
6-[[(1S)-2-methylcyclopenta-2,4-dien-1-yl]methyl-[(5-methylcyclopenta-1,4-dien-1-yl)methyl]amino]hexan-1-ol
CID 117670552
5-[[(2E,4Z,6E)-8-(dimethylamino)-6,7-dimethylocta-2,4,6-trien-3-yl]-propylamino]pentan-1-ol
CID 143307643
5-[bis[(2E)-3,7-dimethylocta-2,6-dienyl]amino]pentan-1-ol
CID 145797530
3-(1-pentyl-2H-pyridin-3-yl)propan-1-ol
CID 149737669

Frequently Asked Questions

What is the IUPAC name of 5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol?
The IUPAC name of 5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol (CID 177390448) is 5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol?
The canonical SMILES for 5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol is OCCCCCN(CC1=C=CC=C1)CC1=C=CC=C1.
What is the InChIKey of 5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol?
The InChIKey is UHLFMZWTDXJATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-13-7-1-6-12-18(14-16-8-2-3-9-16)15-17-10-4-5-11-17/h2-5,8,10,19H,1,6-7,12-15H2.
What are the key properties of 5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol?
5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(cyclopenta-1,2,4-trien-1-ylmethyl)amino]pentan-1-ol is sourced from PubChem (CID 177390448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).